Natural Product: NPC184932

Natural Product ID:  NPC184932
Common Name:   Hymenialdisine
IUPAC Name:   (4Z)-4-(2-amino-4-oxo-1H-imidazol-5-ylidene)-2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
Synonyms:   (Z)-Hymenialdisine; Hymenialdisine
Molecular Formula:   C11H10BrN5O2
Standard InCHIKey:  ATBAETXFFCOZOY-DAXSKMNVSA-N
Standard InCHI:  InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4-
Canonical SMILES:  N=C1N=C(/C(=C/2CCNC(=O)c3c2cc([nH]3)Br)/N1)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
NPO12604 Phakellia dendyi Species Bubaridae Eukaryota Byron Strait, Papua New Guinea 2003 PMID[18327911]
NPO33061 pseudaxinella sp. Species Axinellidae Eukaryota Republic of Palau 1979 PMID[18327911]
NPO7079 Stylissa massa Species Axinellidae Eukaryota Philippines PMID[11784156]
NPO24195 Stylissa carteri Species Axinellidae Eukaryota indopacific PMID[9917317]
NPO7079 Stylissa massa Species Axinellidae Eukaryota PMID[23684893]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT396 Cell Line T47D Homo sapiens GI50 7870.46 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 9885.53 nM 15921415
NPT388 Cell Line NCI-H322M Homo sapiens GI50 12647.36 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 63973.48 nM 12193037
NPT375 Cell Line Malme-3M Homo sapiens GI50 25118.86 nM 25625705
NPT591 Individual Protein Glycogen synthase kinase-3 beta Homo sapiens IC50 = 10 nM 19874044
NPT575 Cell Line KM-20L2 Homo sapiens GI50 70145.53 nM 25581396
NPT168 Cell Line P388 Mus musculus Activity = 2.4 ug/ml 22418279
NPT392 Cell Line SNB-75 Homo sapiens GI50 39994.47 nM 18177008
NPT574 Cell Line XF498 Homo sapiens GI50 100000 nM 3404149
NPT1431 Individual Protein Mitogen-activated protein kinase kinase kinase 5 Homo sapiens IC50 = 7000 nM 26287401
NPT391 Cell Line HCC 2998 Homo sapiens GI50 55335.01 nM 22182501
NPT402 Cell Line Hs-578T Homo sapiens GI50 38636.7 nM 20452770
NPT374 Cell Line SF-539 Homo sapiens GI50 13001.7 nM 17962024
NPT576 Cell Line DMS-114 Homo sapiens GI50 13001.7 nM 20106559
NPT90 Cell Line DU-145 Homo sapiens GI50 39627.8 nM DrugMatrix in vitro pharmacology data
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 16106.46 nM 22182927
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 5584.7 nM 23142671
NPT3814 Protein Complex Cyclin-dependent kinase 2/cyclin A Homo sapiens IC50 = 70 nM Open TG-GATES in vivo data: Hematology
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 15631.48 nM DrugMatrix in vivo data: Pathology
NPT578 Cell Line SNB-78 Homo sapiens GI50 86297.85 nM 15646539
NPT2 Others Unspecified IC50 = 0.2 ug/ml 12088425
NPT323 Cell Line SW-620 Homo sapiens GI50 2716.44 nM 17685651
NPT306 Cell Line PC-3 Homo sapiens GI50 56623.93 nM 23501116
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 43351.09 nM 19711971
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 11912.42 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 30408.85 nM DrugMatrix in vitro pharmacology data
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 17498.47 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 48528.85 nM 24387625
NPT323 Cell Line SW-620 Homo sapiens GI50 6123.5 nM 10.6019/CHEMBL1201861
NPT376 Cell Line A498 Homo sapiens GI50 100000 nM 17067146
NPT116 Cell Line HL-60 Homo sapiens GI50 1599.56 nM 22439591
NPT376 Cell Line A498 Homo sapiens GI50 45919.8 nM 24462176
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 79799.47 nM 9834177
NPT83 Cell Line MCF7 Homo sapiens GI50 40926.07 nM 23819871
NPT370 Cell Line NCI-H23 Homo sapiens GI50 52722.99 nM 24063582
NPT406 Cell Line RXF 393 Homo sapiens GI50 34593.94 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 8933.05 nM 17854154
NPT168 Cell Line P388 Mus musculus GI50 3971.92 nM 22483395
NPT405 Cell Line NCI-H226 Homo sapiens GI50 21777.1 nM 20073490
NPT392 Cell Line SNB-75 Homo sapiens GI50 34833.73 nM 12608854
NPT407 Cell Line COLO 205 Homo sapiens GI50 12618.28 nM 17432904
NPT383 Cell Line SNB-19 Homo sapiens GI50 48194.78 nM 24949913
NPT367 Cell Line MDA-N Homo sapiens GI50 1901.08 nM 7760077
NPT111 Cell Line K562 Homo sapiens GI50 3854.78 nM 17067151
NPT116 Cell Line HL-60 Homo sapiens GI50 1655.77 nM 25629555
NPT3944 Protein Complex Cyclin-dependent kinase 2/cyclin E1 Homo sapiens IC50 = 40 nM PubChem BioAssay data set
NPT1561 Protein Complex Cyclin-dependent kinase 1/cyclin B1 Homo sapiens IC50 = 22 nM PubChem BioAssay data set
NPT591 Individual Protein Glycogen synthase kinase-3 beta Homo sapiens IC50 = 10 nM PubChem BioAssay data set
NPT1680 Individual Protein Serine/threonine-protein kinase Chk2 Homo sapiens IC50 = 42 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 3019.95 nM 24175613
NPT2 Others Unspecified IC50 = 10 nM 21856049
NPT1680 Individual Protein Serine/threonine-protein kinase Chk2 Homo sapiens IC50 = 42 nM 18579374
NPT3266 Individual Protein Casein kinase I delta Homo sapiens IC50 = 35 nM 16562830
NPT1598 Individual Protein Casein kinase II alpha Homo sapiens IC50 = 7000 nM 16562830
NPT282 Individual Protein MAP kinase ERK2 Homo sapiens IC50 = 6 nM 16562830
NPT182 Individual Protein Protein kinase C alpha Homo sapiens IC50 = 700 nM 16562830
NPT760 Individual Protein Protein kinase C beta Homo sapiens IC50 = 1200 nM 26259802
NPT1608 Individual Protein Serine/threonine-protein kinase Chk1 Homo sapiens IC50 = 1950 nM 26259802
NPT1570 Protein Complex Cyclin-dependent kinase 1/cyclin B Homo sapiens IC50 = 22 nM 541686
NPT15 Cell Line Jurkat Homo sapiens IC50 = 2410 nM 17850214
NPT6640 Individual Protein NF-kappa-B-repressing factor Homo sapiens Inhibition = 46 % 17850214
NPT1970 Cell Line THP-1 Homo sapiens IC50 = 1360 nM 17850214
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 = 1610 nM 17850214
NPT732 Cell Line HOP-18 Homo sapiens GI50 45081.67 nM 21534539
NPT111 Cell Line K562 Homo sapiens GI50 4102.04 nM 21035332
NPT397 Cell Line NCI-H460 Homo sapiens GI50 65614.53 nM 17067173
NPT379 Cell Line HOP-62 Homo sapiens GI50 31915.38 nM 19620329
NPT374 Cell Line SF-539 Homo sapiens GI50 4285.49 nM 19456120
NPT148 Cell Line HCT-15 Homo sapiens GI50 29716.66 nM 18955526
NPT393 Cell Line HCT-116 Homo sapiens GI50 5571.86 nM 19506058
NPT572 Cell Line DMS-273 Homo sapiens GI50 85506.67 nM DrugMatrix in vitro pharmacology data
NPT395 Cell Line SF-268 Homo sapiens GI50 5093.31 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 4886.52 nM 10.1007/s00044-013-0567-7
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 4295.36 nM 20594858
NPT386 Cell Line KM12 Homo sapiens GI50 100000 nM 11325244
NPT491 Individual Protein Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens IC50 = 6 nM 10075775
NPT2 Others Unspecified IC50 = 40 nM 26341134
NPT2 Others Unspecified IC50 = 22 nM 21504848
NPT1608 Individual Protein Serine/threonine-protein kinase Chk1 Homo sapiens IC50 = 1900 nM 18507474
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 974.99 nM 10924160
NPT457 Cell Line BT-549 Homo sapiens GI50 10351.42 nM 16643031
NPT403 Cell Line UACC-257 Homo sapiens GI50 18323.14 nM 23206866
NPT406 Cell Line RXF 393 Homo sapiens GI50 29716.66 nM 22582991
NPT369 Cell Line ACHN Homo sapiens GI50 45289.76 nM 9514009
NPT308 Cell Line CAKI-1 Homo sapiens GI50 33884.42 nM 17988094
NPT394 Cell Line EKVX Homo sapiens GI50 100000 nM 20038128
NPT398 Cell Line UACC-62 Homo sapiens GI50 9616.12 nM 25856683
NPT139 Cell Line HT-29 Homo sapiens GI50 67764.15 nM 12088420
NPT2 Others Unspecified IC50 = 30 nM 12828488
NPT3240 Individual Protein Cyclin-dependent kinase 5 Homo sapiens IC50 = 30 nM 12828488
NPT282 Individual Protein MAP kinase ERK2 Homo sapiens IC50 = 9 nM DrugMatrix in vitro pharmacology data
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 52119.47 nM DrugMatrix in vitro pharmacology data
NPT372 Cell Line HOP-92 Homo sapiens GI50 40831.94 nM 10.1007/s00044-007-9010-2
NPT458 Cell Line IGROV-1 Homo sapiens GI50 97051 nM 23305918
NPT455 Cell Line NCI-H522 Homo sapiens GI50 2546.83 nM 24389510
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 4655.86 nM 24864039
NPT407 Cell Line COLO 205 Homo sapiens GI50 44258.84 nM PubChem BioAssay data set
NPT591 Individual Protein Glycogen synthase kinase-3 beta Homo sapiens IC50 = 10 nM 24689881
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 2904.02 nM 26042639
NPT591 Individual Protein Glycogen synthase kinase-3 beta Homo sapiens IC50 = 10 nM 12828466
NPT1509 Protein Complex Cyclin-dependent kinase 5/CDK5 activator 1 Homo sapiens IC50 = 28 nM 12828466
NPT1570 Protein Complex Cyclin-dependent kinase 1/cyclin B Homo sapiens IC50 = 22 nM 21856049
NPT368 Cell Line SN12C Homo sapiens GI50 11324 nM 17844994
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 40550.85 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 37583.74 nM 16854088
NPT401 Cell Line 786-0 Homo sapiens GI50 27542.29 nM 12662095
NPT112 Cell Line MOLT-4 Homo sapiens GI50 3451.44 nM 19860383
NPT308 Cell Line CAKI-1 Homo sapiens GI50 5688.53 nM 23398362
NPT391 Cell Line HCC 2998 Homo sapiens GI50 57942.87 nM 15787444
NPT370 Cell Line NCI-H23 Homo sapiens GI50 80909.59 nM 25978960
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 57543.99 nM 10924172
NPT114 Cell Line LoVo Homo sapiens IC50 = 710 nM 12662097
NPT490 Protein Family Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK) Homo sapiens IC50 = 6 nM 12662097
NPT491 Individual Protein Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens IC50 = 2500 nM 12662097
NPT492 Cell Line Caco-2 Homo sapiens IC50 > 7799 nM 12662097
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 10739.89 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 7211.07 nM 19938815
NPT112 Cell Line MOLT-4 Homo sapiens GI50 4275.63 nM 17371815
NPT375 Cell Line Malme-3M Homo sapiens GI50 8830.8 nM 18519713
NPT390 Cell Line LOX IMVI Homo sapiens GI50 4570.88 nM 18591275
NPT552 Cell Line P388/ADR Mus musculus GI50 7277.8 nM DrugMatrix in vitro pharmacology data
NPT398 Cell Line UACC-62 Homo sapiens GI50 13427.65 nM 23352268
NPT397 Cell Line NCI-H460 Homo sapiens GI50 100000 nM 27025343
NPT371 Cell Line UO-31 Homo sapiens GI50 5597.58 nM 25510639
NPT394 Cell Line EKVX Homo sapiens GI50 71285.3 nM 10346948
NPT591 Individual Protein Glycogen synthase kinase-3 beta Homo sapiens IC50 = 10 nM DrugMatrix in vivo data: Biochemistry
NPT738 Cell Line SN12K1 Homo sapiens GI50 12274.39 nM 25554367
NPT1431 Individual Protein Mitogen-activated protein kinase kinase kinase 5 Homo sapiens IC50 = 150 nM 10395505
NPT399 Cell Line SF-295 Homo sapiens GI50 100000 nM DrugMatrix in vitro pharmacology data
NPT384 Cell Line TK-10 Homo sapiens GI50 9120.11 nM DrugMatrix in vitro pharmacology data
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 7655.97 nM 19674906
NPT455 Cell Line NCI-H522 Homo sapiens GI50 7430.19 nM 18183025
NPT403 Cell Line UACC-257 Homo sapiens GI50 23713.74 nM 22037378
NPT386 Cell Line KM12 Homo sapiens GI50 48752.85 nM 10.6019/CHEMBL1201861
NPT148 Cell Line HCT-15 Homo sapiens GI50 42461.96 nM 10.6019/CHEMBL1201861
NPT383 Cell Line SNB-19 Homo sapiens GI50 39084.09 nM 18077363
NPT591 Individual Protein Glycogen synthase kinase-3 beta Homo sapiens IC50 = 10 nM DrugMatrix in vitro pharmacology data
NPT380 Cell Line U-251 Homo sapiens GI50 26424.09 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 80723.5 nM 26854381
NPT81 Cell Line A549 Homo sapiens GI50 100000 nM 17418454
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 7744.62 nM 17223562
NPT372 Cell Line HOP-92 Homo sapiens GI50 29174.27 nM 18362191
NPT4886 Individual Protein Ubiquitin carboxyl-terminal hydrolase 7 Homo sapiens Inhibition = 20 % 18426901
NPT380 Cell Line U-251 Homo sapiens GI50 18578.04 nM 16472241
NPT379 Cell Line HOP-62 Homo sapiens GI50 40831.94 nM DrugMatrix in vitro pharmacology data
NPT368 Cell Line SN12C Homo sapiens GI50 19543.39 nM 10.1007/s00044-011-9655-8
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 2904.02 nM 26034885
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 15275.66 nM 16919944
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 10471.29 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 7161.43 nM 8289059
NPT388 Cell Line NCI-H322M Homo sapiens GI50 38370.72 nM 24144848
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 19678.86 nM 17665951
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 13772.09 nM 17665951
NPT81 Cell Line A549 Homo sapiens GI50 70307.23 nM 10579870
NPT139 Cell Line HT-29 Homo sapiens GI50 27164.39 nM 19349520
NPT385 Cell Line SR Homo sapiens GI50 303.39 nM 19721074
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 2432.2 nM 22194678
NPT399 Cell Line SF-295 Homo sapiens GI50 100000 nM 22916954

  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 NPC184932 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
1.0 High Similarity NPC472861
0.9568 High Similarity NPC37268
0.9387 High Similarity NPC271927
0.9141 High Similarity NPC474696
0.875 High Similarity NPC469976
0.8563 High Similarity NPC73687
0.848 Intermediate Similarity NPC80528
0.8452 Intermediate Similarity NPC206148
0.8402 Intermediate Similarity NPC2414
0.8129 Intermediate Similarity NPC476418
0.8043 Intermediate Similarity NPC19342
0.8011 Intermediate Similarity NPC111566
0.8011 Intermediate Similarity NPC63571
0.8 Intermediate Similarity NPC54214
0.7967 Intermediate Similarity NPC310633
0.791 Intermediate Similarity NPC97106
0.7865 Intermediate Similarity NPC136441
0.7842 Intermediate Similarity NPC9635
0.7831 Intermediate Similarity NPC19696
0.7831 Intermediate Similarity NPC136957
0.7789 Intermediate Similarity NPC469717
0.7766 Intermediate Similarity NPC48117
0.7766 Intermediate Similarity NPC329765
0.7766 Intermediate Similarity NPC476526
0.7725 Intermediate Similarity NPC174281
0.7725 Intermediate Similarity NPC475286
0.7705 Intermediate Similarity NPC469814
0.7701 Intermediate Similarity NPC476413
0.7697 Intermediate Similarity NPC476421
0.7697 Intermediate Similarity NPC28096
0.7697 Intermediate Similarity NPC227489
0.7679 Intermediate Similarity NPC260041
0.766 Intermediate Similarity NPC476414
0.7602 Intermediate Similarity NPC476524
0.7598 Intermediate Similarity NPC226835
0.7572 Intermediate Similarity NPC474236
0.7571 Intermediate Similarity NPC233380
0.7546 Intermediate Similarity NPC20021
0.7527 Intermediate Similarity NPC46022
0.7527 Intermediate Similarity NPC112489
0.75 Intermediate Similarity NPC150592
0.7486 Intermediate Similarity NPC27296
0.7436 Intermediate Similarity NPC469716
0.7433 Intermediate Similarity NPC476527
0.7424 Intermediate Similarity NPC476525
0.7344 Intermediate Similarity NPC46811
0.7287 Intermediate Similarity NPC476423
0.7278 Intermediate Similarity NPC474383
0.7222 Intermediate Similarity NPC306160
0.7207 Intermediate Similarity NPC473706
0.7143 Intermediate Similarity NPC474389
0.7127 Intermediate Similarity NPC162268
0.7108 Intermediate Similarity NPC469715
0.7102 Intermediate Similarity NPC52110
0.7074 Intermediate Similarity NPC40530
0.7074 Intermediate Similarity NPC314281
0.7026 Intermediate Similarity NPC188821
0.7026 Intermediate Similarity NPC474180
0.6938 Remote Similarity NPC475736
0.6927 Remote Similarity NPC474258
0.6906 Remote Similarity NPC475870
0.6856 Remote Similarity NPC473946
0.685 Remote Similarity NPC477004
0.6837 Remote Similarity NPC210123
0.6813 Remote Similarity NPC212742
0.6789 Remote Similarity NPC473380
0.6789 Remote Similarity NPC240088
0.6774 Remote Similarity NPC49217
0.6772 Remote Similarity NPC186068
0.6758 Remote Similarity NPC142688
0.6753 Remote Similarity NPC133003
0.6751 Remote Similarity NPC243716
0.6732 Remote Similarity NPC471191
0.6714 Remote Similarity NPC50562
0.6714 Remote Similarity NPC474195
0.6699 Remote Similarity NPC473218
0.6699 Remote Similarity NPC470702
0.6685 Remote Similarity NPC109158
0.6685 Remote Similarity NPC472260
0.6683 Remote Similarity NPC473376
0.6682 Remote Similarity NPC67658
0.6667 Remote Similarity NPC247987
0.6667 Remote Similarity NPC265710
0.6667 Remote Similarity NPC470703
0.6667 Remote Similarity NPC11126
0.6651 Remote Similarity NPC156003
0.6633 Remote Similarity NPC477166
0.6633 Remote Similarity NPC304187
0.6632 Remote Similarity NPC16659
0.6632 Remote Similarity NPC91179
0.663 Remote Similarity NPC299594
0.663 Remote Similarity NPC471655
0.6618 Remote Similarity NPC471944
0.6616 Remote Similarity NPC324091
0.6615 Remote Similarity NPC477003
0.6615 Remote Similarity NPC21429
0.6612 Remote Similarity NPC33229
0.659 Remote Similarity NPC474196
0.6582 Remote Similarity NPC311282
0.6579 Remote Similarity NPC302647
0.6575 Remote Similarity NPC13432
0.6564 Remote Similarity NPC470205
0.6557 Remote Similarity NPC232798
0.6552 Remote Similarity NPC291517
0.655 Remote Similarity NPC66642
0.6545 Remote Similarity NPC161861
0.654 Remote Similarity NPC471193
0.654 Remote Similarity NPC471194
0.6538 Remote Similarity NPC270918
0.6535 Remote Similarity NPC77061
0.6531 Remote Similarity NPC228835
0.652 Remote Similarity NPC474318
0.652 Remote Similarity NPC475914
0.652 Remote Similarity NPC220797
0.652 Remote Similarity NPC201266
0.652 Remote Similarity NPC268744
0.652 Remote Similarity NPC153123
0.6517 Remote Similarity NPC101130
0.6517 Remote Similarity NPC129412
0.6517 Remote Similarity NPC58268
0.6517 Remote Similarity NPC114033
0.6515 Remote Similarity NPC17059
0.6505 Remote Similarity NPC474492
0.6489 Remote Similarity NPC271734
0.6489 Remote Similarity NPC274981
0.6488 Remote Similarity NPC77241
0.6488 Remote Similarity NPC166209
0.6488 Remote Similarity NPC269203
0.6488 Remote Similarity NPC13456
0.6482 Remote Similarity NPC473628
0.648 Remote Similarity NPC270834
0.6477 Remote Similarity NPC151635
0.6465 Remote Similarity NPC94752
0.6465 Remote Similarity NPC17273
0.6465 Remote Similarity NPC141612
0.6465 Remote Similarity NPC135601
0.6457 Remote Similarity NPC23215
0.6453 Remote Similarity NPC79356
0.6453 Remote Similarity NPC179701
0.6453 Remote Similarity NPC102592
0.645 Remote Similarity NPC475874
0.6443 Remote Similarity NPC183662
0.6443 Remote Similarity NPC217372
0.6443 Remote Similarity NPC15573
0.644 Remote Similarity NPC471943
0.6439 Remote Similarity NPC237414
0.6435 Remote Similarity NPC168209
0.6432 Remote Similarity NPC54744
0.6432 Remote Similarity NPC282247
0.6422 Remote Similarity NPC243633
0.6422 Remote Similarity NPC262898
0.6422 Remote Similarity NPC175150
0.6421 Remote Similarity NPC109447
0.642 Remote Similarity NPC98156
0.642 Remote Similarity NPC138596
0.642 Remote Similarity NPC195704
0.642 Remote Similarity NPC292434
0.642 Remote Similarity NPC200397
0.642 Remote Similarity NPC167200
0.642 Remote Similarity NPC14448
0.642 Remote Similarity NPC64661
0.6418 Remote Similarity NPC476460
0.6415 Remote Similarity NPC72956
0.641 Remote Similarity NPC219336
0.6409 Remote Similarity NPC204141
0.6409 Remote Similarity NPC470440
0.6406 Remote Similarity NPC272174
0.64 Remote Similarity NPC209917
0.6394 Remote Similarity NPC317701
0.6386 Remote Similarity NPC473342
0.6386 Remote Similarity NPC477167
0.6385 Remote Similarity NPC153980
0.6385 Remote Similarity NPC6865
0.6383 Remote Similarity NPC470680
0.6383 Remote Similarity NPC100104
0.6378 Remote Similarity NPC88110
0.6378 Remote Similarity NPC477042
0.6372 Remote Similarity NPC470732
0.6369 Remote Similarity NPC59839
0.6369 Remote Similarity NPC48171
0.6369 Remote Similarity NPC286529
0.6369 Remote Similarity NPC169308
0.6369 Remote Similarity NPC77582
0.6369 Remote Similarity NPC209281
0.6369 Remote Similarity NPC129753
0.6369 Remote Similarity NPC12831
0.6369 Remote Similarity NPC244087
0.6369 Remote Similarity NPC74928
0.6369 Remote Similarity NPC3698
0.6369 Remote Similarity NPC97230
0.6369 Remote Similarity NPC205604
0.6369 Remote Similarity NPC302717
0.6368 Remote Similarity NPC470323
0.6364 Remote Similarity NPC110158
0.6364 Remote Similarity NPC213914
0.6351 Remote Similarity NPC116555
0.6344 Remote Similarity NPC298288
0.6344 Remote Similarity NPC209362
0.6341 Remote Similarity NPC141454
0.634 Remote Similarity NPC469529

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC184932 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
0.6859 Remote Similarity NPD3178 Discontinued
0.6837 Remote Similarity NPD5592 Clinical (unspecified phase)
0.68 Remote Similarity NPD7459 Phase 2
0.6788 Remote Similarity NPD1096 Discontinued
0.6784 Remote Similarity NPD2289 Phase 3
0.6784 Remote Similarity NPD2290 Phase 3
0.6684 Remote Similarity NPD1783 Clinical (unspecified phase)
0.66 Remote Similarity NPD460 Discontinued
0.6591 Remote Similarity NPD569 Clinical (unspecified phase)
0.6574 Remote Similarity NPD5001 Clinical (unspecified phase)
0.6564 Remote Similarity NPD3319 Phase 1
0.6564 Remote Similarity NPD3320 Approved
0.6564 Remote Similarity NPD3318 Approved
0.6538 Remote Similarity NPD8493 Clinical (unspecified phase)
0.6538 Remote Similarity NPD1506 Discontinued
0.6507 Remote Similarity NPD2443 Approved
0.6507 Remote Similarity NPD2442 Approved
0.6476 Remote Similarity NPD1600 Suspended
0.6462 Remote Similarity NPD7656 Approved
0.6462 Remote Similarity NPD7657 Approved
0.6459 Remote Similarity NPD6328 Clinical (unspecified phase)
0.6456 Remote Similarity NPD7817 Phase 1
0.645 Remote Similarity NPD5685 Approved
0.645 Remote Similarity NPD5686 Approved
0.6432 Remote Similarity NPD6141 Clinical (unspecified phase)
0.6422 Remote Similarity NPD1952 Discontinued
0.6402 Remote Similarity NPD7970 Approved
0.6402 Remote Similarity NPD7971 Clinical (unspecified phase)
0.6382 Remote Similarity NPD5820 Clinical (unspecified phase)
0.6359 Remote Similarity NPD5199 Approved
0.6359 Remote Similarity NPD5198 Approved
0.6344 Remote Similarity NPD3360 Clinical (unspecified phase)
0.634 Remote Similarity NPD4883 Approved
0.6324 Remote Similarity NPD9343 Clinical (unspecified phase)
0.6321 Remote Similarity NPD2408 Discontinued
0.6308 Remote Similarity NPD3916 Clinical (unspecified phase)
0.6308 Remote Similarity NPD3917 Approved
0.6308 Remote Similarity NPD3918 Approved
0.6303 Remote Similarity NPD3411 Phase 2
0.6303 Remote Similarity NPD3410 Approved
0.6296 Remote Similarity NPD3353 Approved
0.6293 Remote Similarity NPD6449 Clinical (unspecified phase)
0.6291 Remote Similarity NPD7809 Clinical (unspecified phase)
0.6286 Remote Similarity NPD6288 Clinical (unspecified phase)
0.628 Remote Similarity NPD2405 Phase 3
0.6269 Remote Similarity NPD2009 Clinical (unspecified phase)
0.6263 Remote Similarity NPD3990 Phase 3
0.6262 Remote Similarity NPD3915 Approved
0.6256 Remote Similarity NPD4559 Clinical (unspecified phase)
0.6256 Remote Similarity NPD4736 Clinical (unspecified phase)
0.6244 Remote Similarity NPD7619 Phase 3
0.6244 Remote Similarity NPD7618 Phase 3
0.6244 Remote Similarity NPD3968 Approved
0.6244 Remote Similarity NPD7704 Clinical (unspecified phase)
0.6243 Remote Similarity NPD1592 Phase 3
0.6233 Remote Similarity NPD6165 Phase 2
0.6233 Remote Similarity NPD6164 Phase 2
0.6232 Remote Similarity NPD1982 Phase 1
0.623 Remote Similarity NPD5138 Approved
0.623 Remote Similarity NPD5140 Approved
0.6225 Remote Similarity NPD1896 Approved
0.6223 Remote Similarity NPD276 Clinical (unspecified phase)
0.622 Remote Similarity NPD7903 Clinical (unspecified phase)
0.622 Remote Similarity NPD5017 Discontinued
0.6219 Remote Similarity NPD706 Phase 1
0.6218 Remote Similarity NPD2844 Phase 3
0.6212 Remote Similarity NPD3989 Phase 3
0.6197 Remote Similarity NPD6376 Discontinued
0.6193 Remote Similarity NPD1591 Approved
0.6193 Remote Similarity NPD5643 Phase 2
0.6188 Remote Similarity NPD3486 Clinical (unspecified phase)
0.6186 Remote Similarity NPD8013 Clinical (unspecified phase)
0.6184 Remote Similarity NPD2880 Discontinued
0.6184 Remote Similarity NPD6664 Approved
0.6183 Remote Similarity NPD4463 Approved
0.6183 Remote Similarity NPD4462 Approved
0.6179 Remote Similarity NPD3967 Approved
0.6179 Remote Similarity NPD2008 Discontinued
0.6176 Remote Similarity NPD6180 Clinical (unspecified phase)
0.6176 Remote Similarity NPD1658 Discontinued
0.6173 Remote Similarity NPD482 Approved
0.6173 Remote Similarity NPD3522 Approved
0.6171 Remote Similarity NPD7717 Approved
0.6171 Remote Similarity NPD6752 Phase 1
0.6171 Remote Similarity NPD6753 Phase 1
0.6171 Remote Similarity NPD7716 Approved
0.6167 Remote Similarity NPD2323 Clinical (unspecified phase)
0.6164 Remote Similarity NPD6578 Clinical (unspecified phase)
0.6162 Remote Similarity NPD2590 Clinical (unspecified phase)
0.6158 Remote Similarity NPD1284 Clinical (unspecified phase)
0.6154 Remote Similarity NPD7204 Clinical (unspecified phase)
0.6154 Remote Similarity NPD3834 Clinical (unspecified phase)
0.6154 Remote Similarity NPD465 Clinical (unspecified phase)
0.615 Remote Similarity NPD5965 Clinical (unspecified phase)
0.6143 Remote Similarity NPD7727 Phase 2
0.6142 Remote Similarity NPD749 Clinical (unspecified phase)
0.6139 Remote Similarity NPD7026 Phase 2
0.6135 Remote Similarity NPD1871 Approved
0.6121 Remote Similarity NPD4959 Approved
0.6121 Remote Similarity NPD4960 Approved
0.6111 Remote Similarity NPD4092 Approved
0.6109 Remote Similarity NPD6210 Phase 3
0.6108 Remote Similarity NPD3246 Discontinued
0.6103 Remote Similarity NPD1575 Approved
0.6103 Remote Similarity NPD1573 Approved
0.6093 Remote Similarity NPD5510 Approved
0.6091 Remote Similarity NPD4541 Clinical (unspecified phase)
0.608 Remote Similarity NPD3999 Approved
0.608 Remote Similarity NPD3997 Approved
0.608 Remote Similarity NPD3078 Approved
0.608 Remote Similarity NPD3998 Approved
0.608 Remote Similarity NPD3076 Approved
0.608 Remote Similarity NPD3077 Approved
0.608 Remote Similarity NPD3079 Approved
0.6077 Remote Similarity NPD2947 Clinical (unspecified phase)
0.6075 Remote Similarity NPD6838 Clinical (unspecified phase)
0.6073 Remote Similarity NPD2214 Approved
0.6073 Remote Similarity NPD2213 Approved
0.6066 Remote Similarity NPD4464 Clinical (unspecified phase)
0.6066 Remote Similarity NPD5020 Approved
0.6065 Remote Similarity NPD7998 Clinical (unspecified phase)
0.6062 Remote Similarity NPD1631 Approved
0.6061 Remote Similarity NPD4091 Approved
0.6061 Remote Similarity NPD2367 Phase 2
0.6059 Remote Similarity NPD5809 Phase 3
0.6059 Remote Similarity NPD4426 Clinical (unspecified phase)
0.6056 Remote Similarity NPD8115 Approved
0.6056 Remote Similarity NPD8114 Approved
0.605 Remote Similarity NPD5146 Suspended
0.6049 Remote Similarity NPD3870 Clinical (unspecified phase)
0.6049 Remote Similarity NPD3871 Clinical (unspecified phase)
0.6049 Remote Similarity NPD1043 Phase 3
0.6048 Remote Similarity NPD7621 Clinical (unspecified phase)
0.6047 Remote Similarity NPD7232 Discontinued
0.6039 Remote Similarity NPD2004 Clinical (unspecified phase)
0.6038 Remote Similarity NPD6268 Phase 1
0.6038 Remote Similarity NPD6269 Clinical (unspecified phase)
0.6037 Remote Similarity NPD4863 Approved
0.6036 Remote Similarity NPD1996 Discontinued
0.6036 Remote Similarity NPD6579 Phase 2
0.603 Remote Similarity NPD3991 Approved
0.603 Remote Similarity NPD3994 Approved
0.603 Remote Similarity NPD3992 Approved
0.603 Remote Similarity NPD3995 Approved
0.603 Remote Similarity NPD3993 Approved
0.603 Remote Similarity NPD3996 Approved
0.6029 Remote Similarity NPD3961 Discontinued
0.6029 Remote Similarity NPD5446 Phase 2
0.6027 Remote Similarity NPD3757 Clinical (unspecified phase)
0.6019 Remote Similarity NPD3856 Clinical (unspecified phase)
0.6009 Remote Similarity NPD2411 Approved
0.5991 Remote Similarity NPD6837 Clinical (unspecified phase)
0.599 Remote Similarity NPD2095 Phase 2
0.599 Remote Similarity NPD3347 Clinical (unspecified phase)
0.599 Remote Similarity NPD2092 Phase 2
0.599 Remote Similarity NPD6665 Discontinued
0.599 Remote Similarity NPD2094 Phase 2
0.599 Remote Similarity NPD1630 Approved
0.599 Remote Similarity NPD5728 Clinical (unspecified phase)
0.5981 Remote Similarity NPD8098 Approved
0.5981 Remote Similarity NPD3247 Clinical (unspecified phase)
0.598 Remote Similarity NPD4940 Approved
0.598 Remote Similarity NPD3315 Phase 3
0.5973 Remote Similarity NPD2787 Clinical (unspecified phase)
0.597 Remote Similarity NPD1618 Phase 2
0.5969 Remote Similarity NPD6855 Clinical (unspecified phase)
0.5969 Remote Similarity NPD5069 Clinical (unspecified phase)
0.5968 Remote Similarity NPD175 Clinical (unspecified phase)
0.5966 Remote Similarity NPD1781 Discontinued
0.5961 Remote Similarity NPD721 Approved
0.5961 Remote Similarity NPD2091 Phase 2
0.5961 Remote Similarity NPD3607 Clinical (unspecified phase)
0.5961 Remote Similarity NPD2096 Phase 2
0.5953 Remote Similarity NPD7568 Phase 1
0.5947 Remote Similarity NPD2603 Clinical (unspecified phase)
0.5936 Remote Similarity NPD8096 Phase 3
0.5936 Remote Similarity NPD8093 Discontinued
0.5936 Remote Similarity NPD8097 Phase 3
0.5934 Remote Similarity NPD201 Phase 2
0.5934 Remote Similarity NPD200 Phase 2
0.5933 Remote Similarity NPD7406 Phase 2
0.5931 Remote Similarity NPD2814 Clinical (unspecified phase)
0.593 Remote Similarity NPD7662 Clinical (unspecified phase)
0.5926 Remote Similarity NPD4415 Approved
0.5922 Remote Similarity NPD5016 Approved
0.5922 Remote Similarity NPD1657 Approved
0.5921 Remote Similarity NPD1580 Clinical (unspecified phase)
0.5921 Remote Similarity NPD1579 Discontinued
0.592 Remote Similarity NPD8386 Phase 2
0.5916 Remote Similarity NPD3405 Phase 3
0.5916 Remote Similarity NPD2061 Approved
0.5915 Remote Similarity NPD3891 Phase 2
0.5915 Remote Similarity NPD3890 Phase 2
0.5913 Remote Similarity NPD7098 Clinical (unspecified phase)
0.5913 Remote Similarity NPD6263 Clinical (unspecified phase)
0.5913 Remote Similarity NPD4922 Phase 2
0.5912 Remote Similarity NPD272 Approved
0.5909 Remote Similarity NPD2363 Discontinued
0.5909 Remote Similarity NPD2823 Clinical (unspecified phase)
0.5909 Remote Similarity NPD8094 Discontinued

Structure

External Identifiers

PubChem CID   3035462
ChEMBL   CHEMBL361708
ZINC  

Physicochemical Properties

Molecular Weight:  323.00
ALogP:  -0.9034
MLogP:  1.79
XLogP:  1.425
# Rotatable Bonds:  2
Polar Surface Area:  113.36
# H-Bond Aceptor:  7
# H-Bond Donor:  5
# Rings:  3
# Heavy Atoms:  19

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs