Natural Product: NPC145067

Natural Product ID:  NPC145067
Common Name:   10-Hydroxy-2,4A,6A,6B,9,9,12A-Heptamethyl-13-Oxo-3,4,5,6,6A,7,8,8A,10,11,12,14B-Dodecahydro-1H-Picene-2-Carboxylic Acid
IUPAC Name:   10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Synonyms:  
Molecular Formula:   C30H46O4
Standard InCHIKey:  MPDGHEJMBKOTSU-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)
Canonical SMILES:  O=C1C=C2C3CC(C)(CCC3(C)CCC2(C2(C1C1(C)CCC(C(C1CC2)(C)C)O)C)C)C(=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
NPO29384 Glycyrrhiza glabra Species Fabaceae Eukaryota TM-MC*
NPO1698 Glycyrrhiza inflata Species Fabaceae Eukaryota TM-MC*
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 41783.04 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 38725.76 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 22594.36 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 21183.61 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 23550.49 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 24603.68 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 29580.12 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 17579.24 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 24378.11 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 19319.68 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 36224.3 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 46025.66 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 43052.66 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 43752.21 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 29648.31 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 20558.91 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 24322.04 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 35727.28 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 37497.3 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 18323.14 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 22698.65 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 36307.81 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 42756.29 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 22594.36 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 11721.95 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 21827.3 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 23120.65 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 40271.7 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 33806.48 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 34833.73 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 23388.37 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 27352.69 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 34914.03 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 50234.26 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 36057.86 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 43351.09 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 30831.88 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 24378.11 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 20989.4 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 35645.11 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 26485 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 28641.78 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 42072.66 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 33884.42 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 30902.95 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 20183.66 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 25822.6 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 22130.95 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 36057.86 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 38815.04 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 26608.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5951.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29.8 nM PubChem BioAssay data set

  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 NPC145067 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 NPC158030
1.0 High Similarity NPC233455
1.0 High Similarity NPC4036
1.0 High Similarity NPC65120
0.9884 High Similarity NPC214756
0.9884 High Similarity NPC272075
0.9884 High Similarity NPC295643
0.9659 High Similarity NPC139570
0.9659 High Similarity NPC148523
0.9651 High Similarity NPC291028
0.9647 High Similarity NPC182797
0.9647 High Similarity NPC52169
0.9551 High Similarity NPC98874
0.9545 High Similarity NPC74751
0.954 High Similarity NPC105189
0.954 High Similarity NPC474525
0.9535 High Similarity NPC225585
0.9535 High Similarity NPC234346
0.9535 High Similarity NPC127689
0.9535 High Similarity NPC121798
0.9535 High Similarity NPC263393
0.9535 High Similarity NPC59263
0.9535 High Similarity NPC274330
0.9535 High Similarity NPC293048
0.9535 High Similarity NPC270768
0.9535 High Similarity NPC143232
0.9535 High Similarity NPC290972
0.9535 High Similarity NPC61543
0.9535 High Similarity NPC25906
0.9535 High Similarity NPC198664
0.9535 High Similarity NPC64872
0.9535 High Similarity NPC130520
0.9529 High Similarity NPC130577
0.9529 High Similarity NPC98442
0.9529 High Similarity NPC293564
0.9529 High Similarity NPC88716
0.9529 High Similarity NPC142415
0.9529 High Similarity NPC68160
0.9529 High Similarity NPC307426
0.9529 High Similarity NPC102683
0.9529 High Similarity NPC51700
0.9529 High Similarity NPC171203
0.9529 High Similarity NPC242468
0.9529 High Similarity NPC18064
0.9425 High Similarity NPC120968
0.9425 High Similarity NPC470589
0.9425 High Similarity NPC227467
0.9425 High Similarity NPC210037
0.9425 High Similarity NPC477872
0.9425 High Similarity NPC111110
0.9425 High Similarity NPC18872
0.9425 High Similarity NPC7260
0.9425 High Similarity NPC273621
0.9425 High Similarity NPC46441
0.9425 High Similarity NPC290614
0.9425 High Similarity NPC126369
0.9425 High Similarity NPC193750
0.9425 High Similarity NPC130278
0.9419 High Similarity NPC246708
0.9419 High Similarity NPC470629
0.9419 High Similarity NPC290690
0.9419 High Similarity NPC473242
0.9419 High Similarity NPC17733
0.9419 High Similarity NPC40552
0.9419 High Similarity NPC474512
0.9419 High Similarity NPC181225
0.9412 High Similarity NPC72638
0.9341 High Similarity NPC471966
0.9326 High Similarity NPC474529
0.9318 High Similarity NPC235884
0.9318 High Similarity NPC472149
0.9318 High Similarity NPC25299
0.9318 High Similarity NPC6255
0.9318 High Similarity NPC282616
0.9318 High Similarity NPC52021
0.9318 High Similarity NPC84319
0.9318 High Similarity NPC38754
0.9318 High Similarity NPC187722
0.9318 High Similarity NPC155120
0.9318 High Similarity NPC228784
0.9318 High Similarity NPC471588
0.9318 High Similarity NPC288833
0.9318 High Similarity NPC306541
0.9318 High Similarity NPC324341
0.9318 High Similarity NPC71074
0.9318 High Similarity NPC300351
0.9318 High Similarity NPC966
0.931 High Similarity NPC474972
0.931 High Similarity NPC161751
0.931 High Similarity NPC470588
0.931 High Similarity NPC95246
0.9294 High Similarity NPC133954
0.9231 High Similarity NPC26413
0.9213 High Similarity NPC86368
0.9213 High Similarity NPC158059
0.9213 High Similarity NPC275809
0.9213 High Similarity NPC74855
0.9213 High Similarity NPC307335
0.9213 High Similarity NPC229281
0.9213 High Similarity NPC298554
0.9213 High Similarity NPC136313
0.9213 High Similarity NPC118519
0.9213 High Similarity NPC202728
0.9213 High Similarity NPC118490
0.9205 High Similarity NPC86372
0.9205 High Similarity NPC474728
0.9205 High Similarity NPC172361
0.9205 High Similarity NPC49320
0.9205 High Similarity NPC113989
0.9205 High Similarity NPC120840
0.9186 High Similarity NPC74363
0.9186 High Similarity NPC213412
0.9186 High Similarity NPC475862
0.9176 High Similarity NPC96095
0.9121 High Similarity NPC157113
0.9121 High Similarity NPC472806
0.9121 High Similarity NPC167193
0.9121 High Similarity NPC62516
0.9111 High Similarity NPC20235
0.9111 High Similarity NPC32407
0.9111 High Similarity NPC231063
0.9111 High Similarity NPC263548
0.9111 High Similarity NPC299996
0.9111 High Similarity NPC209868
0.9111 High Similarity NPC145667
0.9111 High Similarity NPC282395
0.9111 High Similarity NPC159365
0.9111 High Similarity NPC88116
0.9111 High Similarity NPC114159
0.9111 High Similarity NPC191412
0.9111 High Similarity NPC6818
0.9111 High Similarity NPC222047
0.9111 High Similarity NPC91010
0.9101 High Similarity NPC475708
0.9101 High Similarity NPC285184
0.9101 High Similarity NPC60755
0.9101 High Similarity NPC470590
0.9101 High Similarity NPC77099
0.9091 High Similarity NPC30522
0.9091 High Similarity NPC281524
0.9091 High Similarity NPC474686
0.908 High Similarity NPC158141
0.908 High Similarity NPC173089
0.908 High Similarity NPC73064
0.908 High Similarity NPC71507
0.9022 High Similarity NPC89225
0.9011 High Similarity NPC474727
0.9011 High Similarity NPC96916
0.9011 High Similarity NPC473240
0.9011 High Similarity NPC198245
0.9 High Similarity NPC49776
0.9 High Similarity NPC474806
0.9 High Similarity NPC474436
0.9 High Similarity NPC63118
0.9 High Similarity NPC133579
0.8977 High Similarity NPC230387
0.8977 High Similarity NPC1753
0.8977 High Similarity NPC474511
0.8977 High Similarity NPC472802
0.8966 High Similarity NPC73038
0.8966 High Similarity NPC158393
0.8966 High Similarity NPC477579
0.8966 High Similarity NPC235341
0.8966 High Similarity NPC56588
0.8966 High Similarity NPC95594
0.8953 High Similarity NPC180834
0.8953 High Similarity NPC171789
0.8913 High Similarity NPC132824
0.8913 High Similarity NPC158371
0.8913 High Similarity NPC327179
0.8913 High Similarity NPC19376
0.8913 High Similarity NPC173744
0.8913 High Similarity NPC230151
0.8913 High Similarity NPC305464
0.8913 High Similarity NPC25848
0.8913 High Similarity NPC73004
0.8913 High Similarity NPC476327
0.8913 High Similarity NPC116457
0.8913 High Similarity NPC259733
0.8913 High Similarity NPC204961
0.8913 High Similarity NPC307282
0.8913 High Similarity NPC476318
0.8913 High Similarity NPC207922
0.8913 High Similarity NPC201657
0.8901 High Similarity NPC80365
0.8901 High Similarity NPC60692
0.8901 High Similarity NPC296164
0.8901 High Similarity NPC23170
0.8901 High Similarity NPC78580
0.8901 High Similarity NPC188102
0.8901 High Similarity NPC148964
0.8901 High Similarity NPC23621
0.8901 High Similarity NPC184006
0.8901 High Similarity NPC87095
0.8889 High Similarity NPC301244
0.8876 High Similarity NPC69627
0.8876 High Similarity NPC477973
0.8864 High Similarity NPC162107
0.8864 High Similarity NPC46912
0.8842 High Similarity NPC476890

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC145067 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
1.0 High Similarity NPD7515 Phase 2
0.9545 High Similarity NPD7748 Approved
0.9231 High Similarity NPD7902 Approved
0.8901 High Similarity NPD7901 Clinical (unspecified phase)
0.8901 High Similarity NPD7900 Approved
0.8539 High Similarity NPD3618 Phase 1
0.8462 Intermediate Similarity NPD5328 Approved
0.8427 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.828 Intermediate Similarity NPD6079 Approved
0.8261 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.8161 Intermediate Similarity NPD7645 Phase 2
0.8152 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.8111 Intermediate Similarity NPD3133 Approved
0.8111 Intermediate Similarity NPD3666 Approved
0.8111 Intermediate Similarity NPD3665 Phase 1
0.8111 Intermediate Similarity NPD4786 Approved
0.809 Intermediate Similarity NPD3667 Approved
0.802 Intermediate Similarity NPD6675 Approved
0.802 Intermediate Similarity NPD5739 Approved
0.802 Intermediate Similarity NPD6402 Approved
0.802 Intermediate Similarity NPD7128 Approved
0.8 Intermediate Similarity NPD4202 Approved
0.8 Intermediate Similarity NPD6399 Phase 3
0.7959 Intermediate Similarity NPD7638 Approved
0.7938 Intermediate Similarity NPD5221 Approved
0.7938 Intermediate Similarity NPD5222 Approved
0.7938 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7938 Intermediate Similarity NPD4697 Phase 3
0.7935 Intermediate Similarity NPD6684 Approved
0.7935 Intermediate Similarity NPD7146 Approved
0.7935 Intermediate Similarity NPD7521 Approved
0.7935 Intermediate Similarity NPD5330 Approved
0.7935 Intermediate Similarity NPD6409 Approved
0.7935 Intermediate Similarity NPD7334 Approved
0.7895 Intermediate Similarity NPD8034 Phase 2
0.7895 Intermediate Similarity NPD8035 Phase 2
0.7879 Intermediate Similarity NPD7640 Approved
0.7879 Intermediate Similarity NPD7639 Approved
0.7864 Intermediate Similarity NPD6899 Approved
0.7864 Intermediate Similarity NPD6881 Approved
0.7864 Intermediate Similarity NPD7320 Approved
0.7857 Intermediate Similarity NPD6083 Phase 2
0.7857 Intermediate Similarity NPD4755 Approved
0.7857 Intermediate Similarity NPD5173 Approved
0.7857 Intermediate Similarity NPD6084 Phase 2
0.7849 Intermediate Similarity NPD3573 Approved
0.7788 Intermediate Similarity NPD6372 Approved
0.7788 Intermediate Similarity NPD6373 Approved
0.7767 Intermediate Similarity NPD5697 Approved
0.7767 Intermediate Similarity NPD5701 Approved
0.7766 Intermediate Similarity NPD5737 Approved
0.7766 Intermediate Similarity NPD6672 Approved
0.7766 Intermediate Similarity NPD6903 Approved
0.7755 Intermediate Similarity NPD7614 Phase 1
0.7714 Intermediate Similarity NPD6883 Approved
0.7714 Intermediate Similarity NPD7102 Approved
0.7714 Intermediate Similarity NPD7290 Approved
0.77 Intermediate Similarity NPD5286 Approved
0.77 Intermediate Similarity NPD4700 Approved
0.77 Intermediate Similarity NPD4696 Approved
0.77 Intermediate Similarity NPD5285 Approved
0.7692 Intermediate Similarity NPD6011 Approved
0.7684 Intermediate Similarity NPD4753 Phase 2
0.7667 Intermediate Similarity NPD4695 Discontinued
0.7642 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7642 Intermediate Similarity NPD8130 Phase 1
0.7642 Intermediate Similarity NPD6650 Approved
0.7642 Intermediate Similarity NPD6617 Approved
0.7642 Intermediate Similarity NPD6869 Approved
0.7642 Intermediate Similarity NPD6847 Approved
0.7642 Intermediate Similarity NPD6649 Approved
0.7624 Intermediate Similarity NPD5223 Approved
0.7619 Intermediate Similarity NPD6012 Approved
0.7619 Intermediate Similarity NPD6013 Approved
0.7619 Intermediate Similarity NPD6014 Approved
0.757 Intermediate Similarity NPD8297 Approved
0.757 Intermediate Similarity NPD6882 Approved
0.7553 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7553 Intermediate Similarity NPD5279 Phase 3
0.7549 Intermediate Similarity NPD4633 Approved
0.7549 Intermediate Similarity NPD5226 Approved
0.7549 Intermediate Similarity NPD5224 Approved
0.7549 Intermediate Similarity NPD5211 Phase 2
0.7549 Intermediate Similarity NPD5225 Approved
0.7527 Intermediate Similarity NPD3668 Phase 3
0.7522 Intermediate Similarity NPD8328 Phase 3
0.75 Intermediate Similarity NPD4221 Approved
0.75 Intermediate Similarity NPD4223 Phase 3
0.7476 Intermediate Similarity NPD5174 Approved
0.7476 Intermediate Similarity NPD4754 Approved
0.7476 Intermediate Similarity NPD5175 Approved
0.7475 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7475 Intermediate Similarity NPD5695 Phase 3
0.7473 Intermediate Similarity NPD7525 Registered
0.7455 Intermediate Similarity NPD7115 Discovery
0.7447 Intermediate Similarity NPD5329 Approved
0.7426 Intermediate Similarity NPD5696 Approved
0.7416 Intermediate Similarity NPD6117 Approved
0.7404 Intermediate Similarity NPD5141 Approved
0.74 Intermediate Similarity NPD7732 Phase 3
0.7364 Intermediate Similarity NPD6868 Approved
0.7347 Intermediate Similarity NPD5284 Approved
0.7347 Intermediate Similarity NPD6411 Approved
0.7347 Intermediate Similarity NPD5281 Approved
0.734 Intermediate Similarity NPD4197 Approved
0.7339 Intermediate Similarity NPD4632 Approved
0.7333 Intermediate Similarity NPD4767 Approved
0.7333 Intermediate Similarity NPD6116 Phase 1
0.7333 Intermediate Similarity NPD4768 Approved
0.732 Intermediate Similarity NPD6080 Approved
0.732 Intermediate Similarity NPD6904 Approved
0.732 Intermediate Similarity NPD6673 Approved
0.73 Intermediate Similarity NPD4629 Approved
0.73 Intermediate Similarity NPD5210 Approved
0.729 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7264 Intermediate Similarity NPD6412 Phase 2
0.7253 Intermediate Similarity NPD6115 Approved
0.7253 Intermediate Similarity NPD6118 Approved
0.7253 Intermediate Similarity NPD6114 Approved
0.7253 Intermediate Similarity NPD3617 Approved
0.7253 Intermediate Similarity NPD6697 Approved
0.7234 Intermediate Similarity NPD4788 Approved
0.7232 Intermediate Similarity NPD6335 Approved
0.7212 Intermediate Similarity NPD7632 Discontinued
0.7207 Intermediate Similarity NPD6274 Approved
0.7196 Intermediate Similarity NPD5168 Approved
0.7196 Intermediate Similarity NPD4729 Approved
0.7196 Intermediate Similarity NPD4730 Approved
0.7196 Intermediate Similarity NPD5128 Approved
0.7191 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD4623 Approved
0.7188 Intermediate Similarity NPD4688 Approved
0.7188 Intermediate Similarity NPD4519 Discontinued
0.7188 Intermediate Similarity NPD4693 Phase 3
0.7188 Intermediate Similarity NPD4690 Approved
0.7188 Intermediate Similarity NPD4138 Approved
0.7188 Intermediate Similarity NPD4689 Approved
0.7188 Intermediate Similarity NPD5205 Approved
0.717 Intermediate Similarity NPD6008 Approved
0.7168 Intermediate Similarity NPD7100 Approved
0.7168 Intermediate Similarity NPD7101 Approved
0.7143 Intermediate Similarity NPD6317 Approved
0.7143 Intermediate Similarity NPD6101 Approved
0.7143 Intermediate Similarity NPD6009 Approved
0.7143 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD7339 Approved
0.7111 Intermediate Similarity NPD6942 Approved
0.7097 Intermediate Similarity NPD8259 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD4225 Approved
0.7083 Intermediate Similarity NPD1694 Approved
0.708 Intermediate Similarity NPD6314 Approved
0.708 Intermediate Similarity NPD6313 Approved
0.7064 Intermediate Similarity NPD5169 Approved
0.7064 Intermediate Similarity NPD5250 Approved
0.7064 Intermediate Similarity NPD5249 Phase 3
0.7064 Intermediate Similarity NPD5251 Approved
0.7064 Intermediate Similarity NPD5135 Approved
0.7064 Intermediate Similarity NPD4634 Approved
0.7064 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD5247 Approved
0.7064 Intermediate Similarity NPD5248 Approved
0.7043 Intermediate Similarity NPD6908 Approved
0.7043 Intermediate Similarity NPD6909 Approved
0.7041 Intermediate Similarity NPD5208 Approved
0.7033 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD6001 Approved
0.701 Intermediate Similarity NPD6098 Approved
0.701 Intermediate Similarity NPD5690 Phase 2
0.701 Intermediate Similarity NPD5280 Approved
0.701 Intermediate Similarity NPD4694 Approved
0.7 Intermediate Similarity NPD5215 Approved
0.7 Intermediate Similarity NPD5216 Approved
0.7 Intermediate Similarity NPD6050 Approved
0.7 Intermediate Similarity NPD5127 Approved
0.7 Intermediate Similarity NPD5693 Phase 1
0.7 Intermediate Similarity NPD5217 Approved
0.6991 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6975 Remote Similarity NPD7736 Approved
0.6972 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6966 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6966 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6319 Approved
0.6932 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6932 Remote Similarity NPD4137 Phase 3
0.6932 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7604 Phase 2
0.69 Remote Similarity NPD5692 Phase 3
0.6897 Remote Similarity NPD5983 Phase 2
0.6897 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6882 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6881 Remote Similarity NPD6686 Approved
0.6864 Remote Similarity NPD7492 Approved
0.6854 Remote Similarity NPD4747 Approved
0.6854 Remote Similarity NPD4691 Approved
0.6832 Remote Similarity NPD5694 Approved
0.6814 Remote Similarity NPD5167 Approved
0.681 Remote Similarity NPD6054 Approved
0.681 Remote Similarity NPD6059 Approved
0.6809 Remote Similarity NPD4195 Approved

Structure

External Identifiers

PubChem CID   3230
ChEMBL   CHEMBL1863561
ZINC  

Physicochemical Properties

Molecular Weight:  470.34
ALogP:  1.6831
MLogP:  4.32
XLogP:  6.745
# Rotatable Bonds:  10
Polar Surface Area:  74.6
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  34

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