Natural Product: NPC129578

Natural Product ID:  NPC129578
Common Name:   Rohitukine
IUPAC Name:   5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-2-methylchromen-4-one
Synonyms:   Rohitukine
Molecular Formula:   C16H19NO5
Standard InCHIKey:  MOCVYVBNJQIVOV-TVQRCGJNSA-N
Standard InCHI:  InChI=1S/C16H19NO5/c1-8-5-10(18)15-12(20)6-11(19)14(16(15)22-8)9-3-4-17(2)7-13(9)21/h5-6,9,13,19-21H,3-4,7H2,1-2H3/t9-,13+/m0/s1
Canonical SMILES:  CN1CC[C@@H]([C@@H](C1)O)c1c(O)cc(c2c1oc(C)cc2=O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO654 Dysoxylum acutangulum Species Meliaceae Eukaryota PMID[19757855]
NPO15933 Dysoxylum binectariferum Species Meliaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell Line HL-60 Homo sapiens IC50 = 7500 nM 19757855
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 8800 nM 19757855
NPT405 Cell Line NCI-H226 Homo sapiens IC50 > 10000 nM 19757855
NPT83 Cell Line MCF7 Homo sapiens IC50 > 10000 nM 19757855
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 19757855
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 2.5 mg/kg 26900761
NPT1682 Individual Protein Dual specificity protein kinase CLK2 Homo sapiens Activity = 45 % 27363938
NPT3409 Individual Protein Homeodomain-interacting protein kinase 3 Homo sapiens Activity = 100 % 27363938
NPT3432 Individual Protein Homeodomain-interacting protein kinase 2 Homo sapiens Activity = 76 % 27363938
NPT3444 Individual Protein Homeodomain-interacting protein kinase 1 Homo sapiens Activity = 96 % 27363938
NPT4446 Individual Protein Eukaryotic translation initiation factor 2-alpha kinase 3 Homo sapiens Activity = 82 % 27363938
NPT1344 Individual Protein Serine/threonine-protein kinase EEF2K Homo sapiens Activity = 84 % 27363938
NPT3291 Individual Protein Serine/threonine-protein kinase SRPK1 Homo sapiens Activity = 40 % 27363938
NPT1701 Individual Protein Serine/threonine-protein kinase PIM3 Homo sapiens Activity = 12 % 27363938
NPT1700 Individual Protein Serine/threonine-protein kinase PIM2 Homo sapiens Activity = 67 % 27363938
NPT1265 Individual Protein Serine/threonine-protein kinase PIM1 Homo sapiens Activity = 27 % 27363938
NPT3417 Individual Protein Serine/threonine-protein kinase TBK1 Homo sapiens Activity = 55 % 27363938
NPT3275 Individual Protein Inhibitor of nuclear factor kappa B kinase epsilon subunit Homo sapiens Activity = 69 % 27363938
NPT981 Individual Protein Inhibitor of nuclear factor kappa B kinase beta subunit Homo sapiens Activity = 83 % 27363938
NPT1657 Individual Protein Serine/threonine-protein kinase NEK6 Homo sapiens Activity = 84 % 27363938
NPT1658 Individual Protein Serine/threonine-protein kinase NEK2 Homo sapiens Activity = 89 % 27363938
NPT3460 Individual Protein Dual-specificity tyrosine-phosphorylation regulated kinase 3 Homo sapiens Activity = 77 % 27363938
NPT3399 Individual Protein Dual-specificity tyrosine-phosphorylation regulated kinase 2 Homo sapiens Activity = 84 % 27363938
NPT3114 Individual Protein Dual-specificity tyrosine-phosphorylation regulated kinase 1A Homo sapiens Activity = 27 % 27363938
NPT4447 Individual Protein Tau-tubulin kinase 1 Homo sapiens Activity = 82 % 27363938
NPT1609 Protein Complex Casein kinase II Homo sapiens Activity = 90 % 27363938
NPT3266 Individual Protein Casein kinase I delta Homo sapiens Activity = 78 % 27363938
NPT1685 Individual Protein Casein kinase I gamma 2 Homo sapiens Activity = 92 % 27363938
NPT3299 Individual Protein Testis-specific serine/threonine-protein kinase 1 Homo sapiens Activity = 81 % 27363938
NPT3378 Individual Protein Serine/threonine-protein kinase SIK3 Homo sapiens Activity = 28 % 27363938
NPT1432 Individual Protein Serine/threonine-protein kinase Aurora-A Homo sapiens Activity = 91 % 27363938
NPT3290 Individual Protein Serine/threonine-protein kinase SIK2 Homo sapiens Activity = 19 % 27363938
NPT1660 Individual Protein NUAK family SNF1-like kinase 1 Homo sapiens Activity = 52 % 27363938
NPT3282 Individual Protein Maternal embryonic leucine zipper kinase Homo sapiens Activity = 80 % 27363938
NPT3344 Individual Protein BR serine/threonine-protein kinase 2 Homo sapiens Activity = 65 % 27363938
NPT3315 Individual Protein BR serine/threonine-protein kinase 1 Homo sapiens Activity = 36 % 27363938
NPT3318 Individual Protein MAP/microtubule affinity-regulating kinase 4 Homo sapiens Activity = 92 % 27363938
NPT3280 Individual Protein Serine/threonine-protein kinase c-TAK1 Homo sapiens Activity = 41 % 27363938
NPT3235 Individual Protein MAP/microtubule affinity-regulating kinase 2 Homo sapiens Activity = 69 % 27363938
NPT3317 Individual Protein Serine/threonine-protein kinase MARK1 Homo sapiens Activity = 67 % 27363938
NPT1767 Protein Complex AMP-activated protein kinase, AMPK Homo sapiens Activity = 16 % 27363938
NPT3279 Individual Protein Serine/threonine-protein kinase 11 Homo sapiens Activity = 59 % 27363938
NPT3268 Individual Protein Serine/threonine-protein kinase tousled-like 1 Homo sapiens Activity = 109 % 27363938
NPT1433 Individual Protein Serine/threonine-protein kinase Aurora-B Homo sapiens Activity = 58 % 27363938
NPT831 Individual Protein Serine/threonine-protein kinase PLK1 Homo sapiens Activity = 96 % 27363938
NPT4092 Protein Complex CDK9/cyclin T1 Homo sapiens Activity = 7 % 27363938
NPT4158 Protein Complex CDK2/Cyclin A Homo sapiens Activity = 16 % 27363938
NPT591 Individual Protein Glycogen synthase kinase-3 beta Homo sapiens Activity = 66 % 27363938
NPT1680 Individual Protein Serine/threonine-protein kinase Chk2 Homo sapiens Activity = 60 % 27363938
NPT1608 Individual Protein Serine/threonine-protein kinase Chk1 Homo sapiens Activity = 52 % 27363938
NPT1721 Individual Protein Death-associated protein kinase 1 Homo sapiens Activity = 96 % 27363938
NPT4086 Protein Complex Phosphorylase kinase Homo sapiens Activity = 23 % 27363938
NPT2626 Individual Protein Myosin light chain kinase, smooth muscle Homo sapiens Activity = 78 % 27363938
NPT3232 Individual Protein CaM kinase I alpha Homo sapiens Activity = 76 % 27363938
NPT1678 Individual Protein CaM-kinase kinase beta Homo sapiens Activity = 18 % 27363938
NPT1612 Individual Protein MAP kinase-activated protein kinase 5 Homo sapiens Activity = 72 % 27363938
NPT3461 Individual Protein MAP kinase-activated protein kinase 3 Homo sapiens Activity = 83 % 27363938
NPT1441 Individual Protein MAP kinase-activated protein kinase 2 Homo sapiens Activity = 52 % 27363938
NPT3213 Individual Protein MAP kinase signal-integrating kinase 2 Homo sapiens Activity = 49 % 27363938
NPT3283 Individual Protein MAP kinase-interacting serine/threonine-protein kinase MNK1 Homo sapiens Activity = 88 % 27363938
NPT1613 Individual Protein Ribosomal protein S6 kinase alpha 5 Homo sapiens Activity = 30 % 27363938
NPT3296 Individual Protein Serine/threonine-protein kinase 33 Homo sapiens Activity = 54 % 27363938
NPT3364 Individual Protein Protein kinase C mu Homo sapiens Activity = 75 % 27363938
NPT3455 Individual Protein Protein kinase C zeta Homo sapiens Activity = 118 % 27363938
NPT880 Individual Protein Protein kinase C gamma Homo sapiens Activity = 89 % 27363938
NPT182 Individual Protein Protein kinase C alpha Homo sapiens Activity = 78 % 27363938
NPT3357 Individual Protein Protein kinase N2 Homo sapiens Activity = 42 % 27363938
NPT1610 Individual Protein Rho-associated protein kinase 2 Rattus norvegicus Activity = 64 % 27363938
NPT2 Others Unspecified Activity = 88 % 27363938
NPT1611 Individual Protein Ribosomal protein S6 kinase 1 Homo sapiens Activity = 79 % 27363938
NPT1448 Individual Protein Serine/threonine-protein kinase Sgk1 Homo sapiens Activity = 92 % 27363938
NPT1430 Individual Protein Serine/threonine-protein kinase AKT2 Homo sapiens Activity = 80 % 27363938
NPT728 Individual Protein Serine/threonine-protein kinase AKT Homo sapiens Activity = 76 % 27363938
NPT1699 Individual Protein 3-phosphoinositide dependent protein kinase-1 Homo sapiens Activity = 90 % 27363938
NPT3234 Individual Protein Ribosomal protein S6 kinase alpha 2 Homo sapiens Activity = 45 % 27363938
NPT3106 Individual Protein Ribosomal protein S6 kinase alpha 1 Homo sapiens Activity = 31 % 27363938
NPT3363 Individual Protein Mitogen-activated protein kinase 15 Homo sapiens Activity = 19 % 27363938
NPT1614 Individual Protein MAP kinase p38 delta Homo sapiens Activity = 16 % 27363938
NPT1615 Individual Protein MAP kinase p38 gamma Homo sapiens Activity = 27 % 27363938
NPT1616 Individual Protein MAP kinase p38 beta Homo sapiens Activity = 76 % 27363938
NPT283 Individual Protein MAP kinase p38 alpha Homo sapiens Activity = 69 % 27363938
NPT3207 Individual Protein c-Jun N-terminal kinase 3 Homo sapiens Activity = 87 % 27363938
NPT1427 Individual Protein c-Jun N-terminal kinase 2 Homo sapiens Activity = 107 % 27363938
NPT1426 Individual Protein c-Jun N-terminal kinase 1 Homo sapiens Activity = 96 % 27363938
NPT281 Individual Protein MAP kinase ERK1 Homo sapiens Activity = 86 % 27363938
NPT282 Individual Protein MAP kinase ERK2 Homo sapiens Activity = 90 % 27363938
NPT1691 Individual Protein Dual specificity mitogen-activated protein kinase kinase 6 Homo sapiens Activity = 89 % 27363938
NPT1690 Individual Protein Dual specificity mitogen-activated protein kinase kinase 2 Homo sapiens Activity = 44 % 27363938
NPT491 Individual Protein Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens Activity = 27 % 27363938
NPT4092 Protein Complex CDK9/cyclin T1 Homo sapiens Inhibition = 75 % 27363938
NPT4158 Protein Complex CDK2/Cyclin A Homo sapiens Inhibition = 10 % 27363938
NPT71 Cell Line HEK293 Homo sapiens GI50 > 50000 nM 27363938
NPT2 Others Unspecified GI50 > 50000 nM 27363938
NPT2 Others Unspecified GI50 = 30000 nM 27363938
NPT2 Others Unspecified GI50 = 22000 nM 27363938
NPT75 Cell Line U251 Homo sapiens GI50 = 32000 nM 27363938
NPT2 Others Unspecified GI50 = 27000 nM 27363938
NPT2 Others Unspecified GI50 = 20000 nM 27363938
NPT396 Cell Line T47D Homo sapiens GI50 = 24000 nM 27363938
NPT784 Cell Line MDA-MB-468 Homo sapiens GI50 = 17000 nM 27363938
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 = 13000 nM 27363938
NPT858 Cell Line LNCaP Homo sapiens GI50 = 30000 nM 27363938
NPT2 Others Unspecified GI50 = 26000 nM 27363938
NPT2 Others Unspecified GI50 = 19000 nM 27363938
NPT2107 Cell Line PSN1 Homo sapiens GI50 = 23000 nM 27363938
NPT2297 Cell Line ASPC1 Homo sapiens GI50 = 21000 nM 27363938
NPT2 Others Unspecified GI50 = 28000 nM 27363938
NPT111 Cell Line K562 Homo sapiens GI50 = 24000 nM 27363938
NPT2 Others Unspecified GI50 = 12000 nM 27363938
NPT2 Others Unspecified GI50 = 10000 nM 27363938
NPT1442 Individual Protein Serine/threonine-protein kinase PAK 2 Homo sapiens Activity = 88 % 27363938
NPT1695 Individual Protein Serine/threonine-protein kinase PAK 4 Homo sapiens Activity = 83 % 27363938
NPT1696 Individual Protein Serine/threonine-protein kinase PAK7 Homo sapiens Activity = 87 % 27363938
NPT1697 Individual Protein Serine/threonine-protein kinase PAK6 Homo sapiens Activity = 79 % 27363938
NPT3331 Individual Protein Serine/threonine-protein kinase MST2 Homo sapiens Activity = 46 % 27363938
NPT3332 Individual Protein Serine/threonine-protein kinase 24 Homo sapiens Activity = 85 % 27363938
NPT1693 Individual Protein Serine/threonine-protein kinase MST4 Homo sapiens Activity = 68 % 27363938
NPT4448 Individual Protein Hexokinase type IV Homo sapiens Activity = 17 % 27363938
NPT3381 Individual Protein Misshapen-like kinase 1 Homo sapiens Activity = 73 % 27363938
NPT3411 Individual Protein Mitogen-activated protein kinase kinase kinase 1 Homo sapiens Activity = 83 % 27363938
NPT3411 Individual Protein Mitogen-activated protein kinase kinase kinase 1 Homo sapiens Activity = 47 % 27363938
NPT3328 Individual Protein Mitogen-activated protein kinase kinase kinase 11 Homo sapiens Activity = 58 % 27363938
NPT3352 Individual Protein Dual specificity testis-specific protein kinase 1 Homo sapiens Activity = 88 % 27363938
NPT3431 Individual Protein Serine/threonine-protein kinase TAO1 Homo sapiens Activity = 39 % 27363938
NPT1431 Individual Protein Mitogen-activated protein kinase kinase kinase 5 Homo sapiens Activity = 96 % 27363938
NPT3442 Individual Protein Mitogen-activated protein kinase kinase kinase 7 Homo sapiens Activity = 70 % 27363938
NPT3386 Individual Protein Interleukin-1 receptor-associated kinase 1 Homo sapiens Activity = 55 % 27363938
NPT3425 Individual Protein Interleukin-1 receptor-associated kinase 4 Homo sapiens Activity = 75 % 27363938
NPT1447 Individual Protein Serine/threonine-protein kinase RIPK2 Homo sapiens Activity = 63 % 27363938
NPT1694 Individual Protein Serine/threonine-protein kinase OSR1 Homo sapiens Activity = 93 % 27363938
NPT3238 Individual Protein Dual specificity protein kinase TTK Homo sapiens Activity = 56 % 27363938
NPT1708 Individual Protein Serine/threonine-protein kinase 16 Homo sapiens Activity = 87 % 27363938
NPT4449 Individual Protein Serine/threonine-protein kinase WNK1 Homo sapiens Activity = 100 % 27363938
NPT36 Individual Protein Tyrosine-protein kinase SRC Homo sapiens Activity = 61 % 27363938
NPT13 Individual Protein Tyrosine-protein kinase LCK Homo sapiens Activity = 45 % 27363938
NPT3113 Individual Protein Tyrosine-protein kinase CSK Homo sapiens Activity = 79 % 27363938
NPT1663 Individual Protein Tyrosine-protein kinase YES Homo sapiens Activity = 57 % 27363938
NPT2729 Individual Protein Tyrosine-protein kinase ABL Homo sapiens Activity = 87 % 27363938
NPT833 Individual Protein Tyrosine-protein kinase BTK Homo sapiens Activity = 58 % 27363938
NPT3246 Individual Protein Tyrosine-protein kinase JAK2 Homo sapiens Activity = 41 % 27363938
NPT1449 Individual Protein Tyrosine-protein kinase SYK Homo sapiens Activity = 109 % 27363938
NPT3259 Individual Protein Tyrosine-protein kinase ZAP-70 Homo sapiens Activity = 103 % 27363938
NPT2576 Individual Protein Tyrosine-protein kinase TIE-2 Homo sapiens Activity = 80 % 27363938
NPT3215 Individual Protein Tyrosine-protein kinase BRK Homo sapiens Activity = 93 % 27363938
NPT3225 Individual Protein Ephrin type-A receptor 2 Homo sapiens Activity = 38 % 27363938
NPT3218 Individual Protein Ephrin type-A receptor 4 Homo sapiens Activity = 53 % 27363938
NPT3212 Individual Protein Ephrin type-B receptor 1 Homo sapiens Activity = 54 % 27363938
NPT2941 Individual Protein Ephrin type-B receptor 2 Homo sapiens Activity = 81 % 27363938
NPT3359 Individual Protein Ephrin type-B receptor 3 Homo sapiens Activity = 82 % 27363938
NPT2572 Individual Protein Ephrin type-B receptor 4 Homo sapiens Activity = 84 % 27363938
NPT1480 Individual Protein Fibroblast growth factor receptor 1 Homo sapiens Activity = 66 % 27363938
NPT1435 Individual Protein Receptor protein-tyrosine kinase erbB-4 Homo sapiens Activity = 79 % 27363938
NPT1438 Individual Protein Insulin-like growth factor I receptor Homo sapiens Activity = 113 % 27363938
NPT2574 Individual Protein Insulin receptor Homo sapiens Activity = 91 % 27363938
NPT3286 Individual Protein Insulin receptor-related protein Homo sapiens Activity = 53 % 27363938
NPT3239 Individual Protein Nerve growth factor receptor Trk-A Homo sapiens Activity = 89 % 27363938
NPT3303 Individual Protein Discoidin domain-containing receptor 2 Homo sapiens Activity = 79 % 27363938
NPT4450 Protein Family Vascular endothelial growth factor receptor Homo sapiens Activity = 18 % 27363938
NPT2 Others Unspecified Activity = 1 % 27363938
NPT2 Others Unspecified Activity = 4 % 27363938
NPT2 Others Unspecified Activity = 10 % 27363938
NPT2 Others Unspecified Activity = 34 % 27363938
NPT2 Others Unspecified Activity = 56 % 27363938
NPT2 Others Unspecified Activity = 48 % 27363938
NPT2 Others Unspecified Activity = 13 % 27363938
NPT2 Others Unspecified Activity = 11 % 27363938
NPT2 Others Unspecified Activity = 50 % 27363938
NPT2 Others Unspecified Activity = 43 % 27363938
NPT4158 Protein Complex CDK2/Cyclin A Homo sapiens IC50 = 7300 nM 27363938
NPT4092 Protein Complex CDK9/cyclin T1 Homo sapiens IC50 = 300 nM 27363938

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC129578 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.963 High Similarity NPC309692
0.9231 High Similarity NPC469437
0.9128 High Similarity NPC264938
0.8914 High Similarity NPC204580
0.8864 High Similarity NPC83019
0.8571 High Similarity NPC139966
0.8571 High Similarity NPC307052
0.8553 High Similarity NPC224714
0.8553 High Similarity NPC470890
0.8509 High Similarity NPC10097
0.85 High Similarity NPC472629
0.8488 Intermediate Similarity NPC327005
0.8471 Intermediate Similarity NPC139554
0.8447 Intermediate Similarity NPC308200
0.8447 Intermediate Similarity NPC470670
0.8447 Intermediate Similarity NPC47388
0.8447 Intermediate Similarity NPC473133
0.8447 Intermediate Similarity NPC85773
0.8438 Intermediate Similarity NPC271288
0.8438 Intermediate Similarity NPC124780
0.8438 Intermediate Similarity NPC87486
0.8405 Intermediate Similarity NPC471115
0.8405 Intermediate Similarity NPC29777
0.8395 Intermediate Similarity NPC145467
0.8395 Intermediate Similarity NPC470460
0.8395 Intermediate Similarity NPC39195
0.8385 Intermediate Similarity NPC290133
0.8385 Intermediate Similarity NPC187282
0.8385 Intermediate Similarity NPC474302
0.8385 Intermediate Similarity NPC24136
0.8375 Intermediate Similarity NPC77794
0.8375 Intermediate Similarity NPC278249
0.8375 Intermediate Similarity NPC107177
0.8375 Intermediate Similarity NPC223812
0.8375 Intermediate Similarity NPC81697
0.8375 Intermediate Similarity NPC125894
0.8375 Intermediate Similarity NPC85162
0.8365 Intermediate Similarity NPC279650
0.8365 Intermediate Similarity NPC166689
0.8365 Intermediate Similarity NPC258630
0.8365 Intermediate Similarity NPC17170
0.8365 Intermediate Similarity NPC156190
0.8365 Intermediate Similarity NPC96408
0.8354 Intermediate Similarity NPC470675
0.8354 Intermediate Similarity NPC473131
0.8344 Intermediate Similarity NPC471114
0.8344 Intermediate Similarity NPC473016
0.8344 Intermediate Similarity NPC5173
0.8344 Intermediate Similarity NPC470461
0.8333 Intermediate Similarity NPC296998
0.8333 Intermediate Similarity NPC300988
0.8333 Intermediate Similarity NPC10990
0.8333 Intermediate Similarity NPC91902
0.8333 Intermediate Similarity NPC473077
0.8323 Intermediate Similarity NPC131579
0.8323 Intermediate Similarity NPC473013
0.8323 Intermediate Similarity NPC473015
0.8323 Intermediate Similarity NPC235217
0.8323 Intermediate Similarity NPC311144
0.8323 Intermediate Similarity NPC131568
0.8323 Intermediate Similarity NPC473014
0.8313 Intermediate Similarity NPC227579
0.8313 Intermediate Similarity NPC182852
0.8313 Intermediate Similarity NPC223500
0.8313 Intermediate Similarity NPC228504
0.8313 Intermediate Similarity NPC107572
0.8313 Intermediate Similarity NPC76372
0.8313 Intermediate Similarity NPC64915
0.8313 Intermediate Similarity NPC66515
0.8313 Intermediate Similarity NPC40833
0.8313 Intermediate Similarity NPC167624
0.8313 Intermediate Similarity NPC148757
0.8313 Intermediate Similarity NPC161506
0.8313 Intermediate Similarity NPC194432
0.8313 Intermediate Similarity NPC166934
0.8313 Intermediate Similarity NPC328164
0.8313 Intermediate Similarity NPC324134
0.8313 Intermediate Similarity NPC1089
0.8313 Intermediate Similarity NPC78
0.8313 Intermediate Similarity NPC166482
0.8313 Intermediate Similarity NPC177354
0.8313 Intermediate Similarity NPC265040
0.8313 Intermediate Similarity NPC10937
0.8313 Intermediate Similarity NPC220998
0.8313 Intermediate Similarity NPC125855
0.8313 Intermediate Similarity NPC37496
0.8313 Intermediate Similarity NPC324436
0.8313 Intermediate Similarity NPC296917
0.8313 Intermediate Similarity NPC32739
0.8313 Intermediate Similarity NPC306829
0.8313 Intermediate Similarity NPC76338
0.8303 Intermediate Similarity NPC216035
0.8303 Intermediate Similarity NPC244583
0.8303 Intermediate Similarity NPC256141
0.8303 Intermediate Similarity NPC217149
0.8303 Intermediate Similarity NPC10807
0.8303 Intermediate Similarity NPC56232
0.8303 Intermediate Similarity NPC150123
0.8303 Intermediate Similarity NPC161881
0.8302 Intermediate Similarity NPC477272
0.8293 Intermediate Similarity NPC472633
0.8293 Intermediate Similarity NPC321896
0.8293 Intermediate Similarity NPC37348
0.8293 Intermediate Similarity NPC180351
0.8293 Intermediate Similarity NPC474735
0.8293 Intermediate Similarity NPC476185
0.8293 Intermediate Similarity NPC61258
0.8291 Intermediate Similarity NPC131130
0.8291 Intermediate Similarity NPC470671
0.8291 Intermediate Similarity NPC470672
0.8291 Intermediate Similarity NPC474504
0.8291 Intermediate Similarity NPC474487
0.8282 Intermediate Similarity NPC168085
0.828 Intermediate Similarity NPC156910
0.828 Intermediate Similarity NPC174999
0.828 Intermediate Similarity NPC470397
0.8272 Intermediate Similarity NPC195621
0.8272 Intermediate Similarity NPC474161
0.8272 Intermediate Similarity NPC477955
0.8272 Intermediate Similarity NPC476088
0.8272 Intermediate Similarity NPC20488
0.8272 Intermediate Similarity NPC301276
0.8272 Intermediate Similarity NPC83357
0.8272 Intermediate Similarity NPC127059
0.8272 Intermediate Similarity NPC267375
0.8272 Intermediate Similarity NPC142405
0.8272 Intermediate Similarity NPC285630
0.8272 Intermediate Similarity NPC299011
0.8272 Intermediate Similarity NPC54577
0.8272 Intermediate Similarity NPC67805
0.8272 Intermediate Similarity NPC470647
0.8272 Intermediate Similarity NPC111786
0.8272 Intermediate Similarity NPC176229
0.8272 Intermediate Similarity NPC470458
0.8272 Intermediate Similarity NPC214774
0.8272 Intermediate Similarity NPC475052
0.8272 Intermediate Similarity NPC246948
0.8272 Intermediate Similarity NPC312973
0.8272 Intermediate Similarity NPC88964
0.8261 Intermediate Similarity NPC475705
0.8261 Intermediate Similarity NPC143896
0.8261 Intermediate Similarity NPC470909
0.8261 Intermediate Similarity NPC51887
0.8261 Intermediate Similarity NPC150408
0.8261 Intermediate Similarity NPC39329
0.8261 Intermediate Similarity NPC316816
0.8261 Intermediate Similarity NPC476178
0.8261 Intermediate Similarity NPC169591
0.8261 Intermediate Similarity NPC164980
0.8261 Intermediate Similarity NPC113770
0.8261 Intermediate Similarity NPC221432
0.8261 Intermediate Similarity NPC75049
0.8261 Intermediate Similarity NPC257097
0.8261 Intermediate Similarity NPC175504
0.8261 Intermediate Similarity NPC214166
0.8261 Intermediate Similarity NPC68104
0.8261 Intermediate Similarity NPC18886
0.8261 Intermediate Similarity NPC149026
0.8261 Intermediate Similarity NPC474939
0.8261 Intermediate Similarity NPC310130
0.8261 Intermediate Similarity NPC185276
0.8261 Intermediate Similarity NPC117836
0.8261 Intermediate Similarity NPC91560
0.8261 Intermediate Similarity NPC478086
0.8261 Intermediate Similarity NPC96216
0.8253 Intermediate Similarity NPC223701
0.8253 Intermediate Similarity NPC7989
0.8253 Intermediate Similarity NPC469405
0.8253 Intermediate Similarity NPC472583
0.825 Intermediate Similarity NPC248372
0.825 Intermediate Similarity NPC282300
0.825 Intermediate Similarity NPC213322
0.825 Intermediate Similarity NPC324386
0.825 Intermediate Similarity NPC4743
0.825 Intermediate Similarity NPC312391
0.825 Intermediate Similarity NPC110038
0.8242 Intermediate Similarity NPC474023
0.8242 Intermediate Similarity NPC477897
0.8242 Intermediate Similarity NPC289774
0.8242 Intermediate Similarity NPC262039
0.8242 Intermediate Similarity NPC472422
0.8242 Intermediate Similarity NPC471677
0.8242 Intermediate Similarity NPC244577
0.8242 Intermediate Similarity NPC209846
0.8242 Intermediate Similarity NPC328740
0.8242 Intermediate Similarity NPC474021
0.8242 Intermediate Similarity NPC263384
0.8242 Intermediate Similarity NPC262038
0.8242 Intermediate Similarity NPC472420
0.8242 Intermediate Similarity NPC178484
0.8242 Intermediate Similarity NPC254412
0.8242 Intermediate Similarity NPC278476
0.8242 Intermediate Similarity NPC319910
0.8242 Intermediate Similarity NPC471676
0.8239 Intermediate Similarity NPC23257
0.8239 Intermediate Similarity NPC140890
0.8232 Intermediate Similarity NPC317492
0.8221 Intermediate Similarity NPC472627
0.8221 Intermediate Similarity NPC202494
0.8221 Intermediate Similarity NPC474108

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC129578 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.9217 High Similarity NPD4419 Clinical (unspecified phase)
0.9128 High Similarity NPD4360 Phase 2
0.9128 High Similarity NPD4363 Phase 3
0.8644 High Similarity NPD4362 Clinical (unspecified phase)
0.8644 High Similarity NPD4361 Phase 2
0.8235 Intermediate Similarity NPD5710 Approved
0.8235 Intermediate Similarity NPD5711 Approved
0.821 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8152 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.8095 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8072 Intermediate Similarity NPD4380 Phase 2
0.8036 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8012 Intermediate Similarity NPD2654 Approved
0.8 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.795 Intermediate Similarity NPD1549 Phase 2
0.7917 Intermediate Similarity NPD5890 Approved
0.7917 Intermediate Similarity NPD5889 Approved
0.7886 Intermediate Similarity NPD3446 Phase 1
0.787 Intermediate Similarity NPD6844 Discontinued
0.7826 Intermediate Similarity NPD2796 Approved
0.7818 Intermediate Similarity NPD7213 Phase 3
0.7818 Intermediate Similarity NPD7212 Phase 2
0.7791 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD7075 Discontinued
0.7771 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD7447 Phase 1
0.7765 Intermediate Similarity NPD1934 Approved
0.7764 Intermediate Similarity NPD1510 Phase 2
0.7759 Intermediate Similarity NPD6959 Discontinued
0.7751 Intermediate Similarity NPD6585 Discontinued
0.7719 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7719 Intermediate Similarity NPD7819 Suspended
0.7708 Intermediate Similarity NPD7584 Approved
0.7706 Intermediate Similarity NPD7411 Suspended
0.7697 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7683 Intermediate Similarity NPD2800 Approved
0.7661 Intermediate Similarity NPD6801 Discontinued
0.7661 Intermediate Similarity NPD7577 Discontinued
0.7625 Intermediate Similarity NPD3142 Approved
0.7625 Intermediate Similarity NPD3140 Approved
0.7622 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7572 Intermediate Similarity NPD5353 Approved
0.7545 Intermediate Similarity NPD6667 Approved
0.7545 Intermediate Similarity NPD6666 Approved
0.7542 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD6166 Phase 2
0.7528 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD1240 Approved
0.7514 Intermediate Similarity NPD2801 Approved
0.75 Intermediate Similarity NPD1511 Approved
0.75 Intermediate Similarity NPD5494 Approved
0.7487 Intermediate Similarity NPD7701 Phase 2
0.7485 Intermediate Similarity NPD2200 Suspended
0.7463 Intermediate Similarity NPD4111 Phase 1
0.7463 Intermediate Similarity NPD4665 Approved
0.7456 Intermediate Similarity NPD2534 Approved
0.7456 Intermediate Similarity NPD2533 Approved
0.7456 Intermediate Similarity NPD2532 Approved
0.7429 Intermediate Similarity NPD7768 Phase 2
0.7423 Intermediate Similarity NPD6651 Approved
0.7423 Intermediate Similarity NPD1607 Approved
0.7412 Intermediate Similarity NPD1512 Approved
0.7403 Intermediate Similarity NPD7054 Approved
0.7403 Intermediate Similarity NPD6020 Phase 2
0.7399 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7398 Intermediate Similarity NPD7585 Approved
0.7384 Intermediate Similarity NPD8158 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD3295 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD7427 Discontinued
0.7363 Intermediate Similarity NPD7472 Approved
0.7363 Intermediate Similarity NPD7074 Phase 3
0.7358 Intermediate Similarity NPD2494 Approved
0.7358 Intermediate Similarity NPD2493 Approved
0.7353 Intermediate Similarity NPD4661 Approved
0.7353 Intermediate Similarity NPD4662 Approved
0.7348 Intermediate Similarity NPD7177 Discontinued
0.7348 Intermediate Similarity NPD5940 Clinical (unspecified phase)
0.7348 Intermediate Similarity NPD3818 Discontinued
0.7347 Intermediate Similarity NPD7583 Approved
0.7344 Intermediate Similarity NPD7811 Phase 3
0.7344 Intermediate Similarity NPD7810 Phase 3
0.7333 Intermediate Similarity NPD4575 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD4582 Approved
0.7333 Intermediate Similarity NPD4583 Approved
0.733 Intermediate Similarity NPD2975 Approved
0.733 Intermediate Similarity NPD2974 Approved
0.733 Intermediate Similarity NPD5019 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD2973 Approved
0.7322 Intermediate Similarity NPD6797 Phase 2
0.7321 Intermediate Similarity NPD3750 Approved
0.732 Intermediate Similarity NPD5006 Approved
0.732 Intermediate Similarity NPD5005 Approved
0.7306 Intermediate Similarity NPD4580 Approved
0.7304 Intermediate Similarity NPD7907 Approved
0.7295 Intermediate Similarity NPD8469 Approved
0.7294 Intermediate Similarity NPD7837 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD6799 Approved
0.7283 Intermediate Similarity NPD6559 Discontinued
0.7283 Intermediate Similarity NPD7251 Discontinued
0.7282 Intermediate Similarity NPD4004 Approved
0.7282 Intermediate Similarity NPD4002 Approved
0.7273 Intermediate Similarity NPD3863 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD3817 Phase 2
0.7268 Intermediate Similarity NPD3452 Approved
0.7268 Intermediate Similarity NPD3450 Approved
0.7267 Intermediate Similarity NPD920 Approved
0.7262 Intermediate Similarity NPD1243 Approved
0.7262 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD6280 Approved
0.7257 Intermediate Similarity NPD6279 Approved
0.7254 Intermediate Similarity NPD8285 Discontinued
0.7243 Intermediate Similarity NPD7808 Phase 3
0.7243 Intermediate Similarity NPD7549 Discontinued
0.7241 Intermediate Similarity NPD6599 Discontinued
0.7238 Intermediate Similarity NPD3451 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD3882 Suspended
0.7231 Intermediate Similarity NPD3057 Approved
0.7228 Intermediate Similarity NPD3823 Discontinued
0.7222 Intermediate Similarity NPD6808 Phase 2
0.7219 Intermediate Similarity NPD7466 Approved
0.7219 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD6668 Clinical (unspecified phase)
0.7213 Intermediate Similarity NPD5844 Phase 1
0.7202 Intermediate Similarity NPD4420 Approved
0.7198 Intermediate Similarity NPD7473 Discontinued
0.7195 Intermediate Similarity NPD2238 Phase 2
0.7191 Intermediate Similarity NPD3749 Approved
0.7189 Intermediate Similarity NPD7039 Approved
0.7189 Intermediate Similarity NPD6104 Discontinued
0.7189 Intermediate Similarity NPD7038 Approved
0.7186 Intermediate Similarity NPD6099 Approved
0.7186 Intermediate Similarity NPD4476 Approved
0.7186 Intermediate Similarity NPD4477 Approved
0.7186 Intermediate Similarity NPD6100 Approved
0.7182 Intermediate Similarity NPD5242 Approved
0.7178 Intermediate Similarity NPD7930 Approved
0.7178 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD5403 Approved
0.7158 Intermediate Similarity NPD2488 Approved
0.7158 Intermediate Similarity NPD2490 Approved
0.7157 Intermediate Similarity NPD8320 Phase 1
0.7157 Intermediate Similarity NPD8319 Approved
0.7152 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD5124 Phase 1
0.7152 Intermediate Similarity NPD4622 Approved
0.7152 Intermediate Similarity NPD4618 Approved
0.7151 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2972 Approved
0.7143 Intermediate Similarity NPD2491 Approved
0.7143 Intermediate Similarity NPD3533 Approved
0.7136 Intermediate Similarity NPD8366 Approved
0.7135 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD6778 Approved
0.7128 Intermediate Similarity NPD6780 Approved
0.7128 Intermediate Similarity NPD6776 Approved
0.7128 Intermediate Similarity NPD6779 Approved
0.7128 Intermediate Similarity NPD6782 Approved
0.7128 Intermediate Similarity NPD6781 Approved
0.7128 Intermediate Similarity NPD6777 Approved
0.7127 Intermediate Similarity NPD6232 Discontinued
0.7126 Intermediate Similarity NPD2799 Discontinued
0.7118 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD7783 Phase 2
0.7114 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD5676 Approved
0.71 Intermediate Similarity NPD8151 Discontinued
0.7095 Intermediate Similarity NPD8005 Clinical (unspecified phase)
0.7085 Intermediate Similarity NPD6973 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD2935 Discontinued
0.7083 Intermediate Similarity NPD1551 Phase 2
0.7081 Intermediate Similarity NPD1729 Discontinued
0.7081 Intermediate Similarity NPD8491 Approved
0.7079 Intermediate Similarity NPD5402 Approved
0.7079 Intermediate Similarity NPD5616 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD3808 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD5688 Approved
0.7066 Intermediate Similarity NPD5689 Approved
0.7059 Intermediate Similarity NPD2976 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD3448 Approved
0.7055 Intermediate Similarity NPD4908 Phase 1
0.7052 Intermediate Similarity NPD5401 Approved
0.7049 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7043 Intermediate Similarity NPD5953 Discontinued
0.7041 Intermediate Similarity NPD7030 Discontinued
0.7037 Intermediate Similarity NPD6990 Approved
0.7037 Intermediate Similarity NPD6989 Approved
0.7027 Intermediate Similarity NPD7286 Phase 2
0.7027 Intermediate Similarity NPD3050 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD42 Phase 2
0.7027 Intermediate Similarity NPD6042 Phase 2
0.7024 Intermediate Similarity NPD3748 Approved
0.7022 Intermediate Similarity NPD7046 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD2971 Approved
0.7021 Intermediate Similarity NPD2968 Approved

Structure

External Identifiers

PubChem CID   13422573
ChEMBL   CHEMBL1077604
ZINC  

Physicochemical Properties

Molecular Weight:  305.13
ALogP:  -1.9508
MLogP:  2.56
XLogP:  -0.333
# Rotatable Bonds:  6
Polar Surface Area:  90.23
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  22

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Source Organisms  
Biological Activities  
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