Natural Product: NPC164349

Natural Product ID:  NPC164349
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H46O4
Standard InCHIKey:  GVUMSYCSEREXHD-BHUKMDKLSA-N
Standard InCHI:  InChI=1S/C30H46O4/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(32)30(18)16-23(25)34-24(30)33/h8,18-23,31-32H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,27-,28+,29+,30+/m0/s1
Canonical SMILES:  O[C@@H]1C[C@]2(C)C(=CC[C@H]3[C@@]2(C)CC[C@@H]2[C@]3(C)CC[C@@H](C2(C)C)O)[C@H]2[C@@]31C[C@H](OC3=O)C(C2)(C)C
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
NPO29529 Acacia victoriae Species Fabaceae Eukaryota PMID[12828461]
NPO12181 Albizia julibrissin Species Fabaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT15 Cell Line Jurkat Homo sapiens IC50 > 100 ug/ml 12828461
NPT367 Cell Line MDA-N Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 37068.07 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 55207.74 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 97051 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 49203.95 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 72443.6 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 56493.7 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 70307.23 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 65463.62 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 37239.17 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 72945.75 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 96827.79 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 73960.53 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 59156.16 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 68076.94 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 56623.93 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 70307.23 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 74644.88 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 50234.26 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 44771.33 nM PubChem BioAssay data set
NPT191 Organism Hepatitis C virus Hepatitis C virus Activity = 31.9 % 23644199
NPT191 Organism Hepatitis C virus Hepatitis C virus Activity = 13.9 % 23644199
NPT195 Organism Vesicular stomatitis virus Vesicular stomatitis virus Activity = -12.1 % 23644199
NPT195 Organism Vesicular stomatitis virus Vesicular stomatitis virus Activity = -17.3 % 23644199

  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 NPC164349 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
0.9451 High Similarity NPC474436
0.9451 High Similarity NPC49776
0.9451 High Similarity NPC63118
0.9355 High Similarity NPC132824
0.9348 High Similarity NPC23621
0.9348 High Similarity NPC184006
0.9348 High Similarity NPC78580
0.9341 High Similarity NPC228784
0.9341 High Similarity NPC288833
0.9341 High Similarity NPC966
0.9341 High Similarity NPC324341
0.9341 High Similarity NPC155120
0.9341 High Similarity NPC282616
0.9255 High Similarity NPC106112
0.9255 High Similarity NPC261935
0.9247 High Similarity NPC195715
0.9247 High Similarity NPC23241
0.9239 High Similarity NPC229281
0.9239 High Similarity NPC86368
0.9231 High Similarity NPC130278
0.9231 High Similarity NPC290614
0.9231 High Similarity NPC210037
0.9231 High Similarity NPC86372
0.9231 High Similarity NPC120968
0.9231 High Similarity NPC477872
0.9231 High Similarity NPC7260
0.9231 High Similarity NPC172361
0.9231 High Similarity NPC18872
0.9231 High Similarity NPC227467
0.9231 High Similarity NPC273621
0.9158 High Similarity NPC111214
0.9158 High Similarity NPC174663
0.9158 High Similarity NPC29765
0.9158 High Similarity NPC271614
0.9149 High Similarity NPC98874
0.9149 High Similarity NPC327179
0.9149 High Similarity NPC201657
0.914 High Similarity NPC114159
0.914 High Similarity NPC222047
0.914 High Similarity NPC191412
0.914 High Similarity NPC6818
0.913 High Similarity NPC187722
0.913 High Similarity NPC471588
0.913 High Similarity NPC6255
0.913 High Similarity NPC105189
0.9121 High Similarity NPC61543
0.9121 High Similarity NPC130520
0.9121 High Similarity NPC225585
0.9121 High Similarity NPC234346
0.9121 High Similarity NPC59263
0.9121 High Similarity NPC270768
0.9121 High Similarity NPC127689
0.9121 High Similarity NPC64872
0.9121 High Similarity NPC121798
0.9121 High Similarity NPC25906
0.9121 High Similarity NPC263393
0.9121 High Similarity NPC293048
0.9121 High Similarity NPC290972
0.9062 High Similarity NPC35239
0.9053 High Similarity NPC187933
0.9053 High Similarity NPC26413
0.9043 High Similarity NPC148523
0.9032 High Similarity NPC118490
0.9032 High Similarity NPC118519
0.9032 High Similarity NPC202728
0.9032 High Similarity NPC298554
0.9032 High Similarity NPC158059
0.9022 High Similarity NPC291028
0.9022 High Similarity NPC126369
0.9022 High Similarity NPC193750
0.9022 High Similarity NPC111110
0.9022 High Similarity NPC474728
0.9022 High Similarity NPC120840
0.9022 High Similarity NPC113989
0.9022 High Similarity NPC470589
0.9011 High Similarity NPC40552
0.9011 High Similarity NPC52169
0.9011 High Similarity NPC182797
0.9011 High Similarity NPC246708
0.8969 High Similarity NPC235142
0.8958 High Similarity NPC188833
0.8947 High Similarity NPC173744
0.8947 High Similarity NPC73004
0.8947 High Similarity NPC116457
0.8947 High Similarity NPC204961
0.8936 High Similarity NPC282395
0.8936 High Similarity NPC209868
0.8936 High Similarity NPC299996
0.8936 High Similarity NPC148964
0.8936 High Similarity NPC231063
0.8936 High Similarity NPC20235
0.8936 High Similarity NPC474529
0.8936 High Similarity NPC32407
0.8936 High Similarity NPC145667
0.8936 High Similarity NPC263548
0.8936 High Similarity NPC88116
0.8925 High Similarity NPC77099
0.8925 High Similarity NPC60755
0.8925 High Similarity NPC38754
0.8925 High Similarity NPC285184
0.8925 High Similarity NPC470590
0.8913 High Similarity NPC143232
0.8913 High Similarity NPC30522
0.8913 High Similarity NPC470588
0.8913 High Similarity NPC274330
0.8913 High Similarity NPC198664
0.8901 High Similarity NPC130577
0.8901 High Similarity NPC307426
0.8901 High Similarity NPC68160
0.8901 High Similarity NPC293564
0.8901 High Similarity NPC171203
0.8901 High Similarity NPC142415
0.8901 High Similarity NPC242468
0.8901 High Similarity NPC18064
0.8901 High Similarity NPC102683
0.8901 High Similarity NPC88716
0.8901 High Similarity NPC98442
0.8901 High Similarity NPC51700
0.8854 High Similarity NPC247139
0.8854 High Similarity NPC9613
0.8854 High Similarity NPC476879
0.8854 High Similarity NPC259788
0.8854 High Similarity NPC255589
0.8854 High Similarity NPC476878
0.8854 High Similarity NPC89225
0.8842 High Similarity NPC96916
0.8842 High Similarity NPC474727
0.8842 High Similarity NPC83693
0.883 High Similarity NPC214756
0.883 High Similarity NPC307335
0.883 High Similarity NPC74855
0.883 High Similarity NPC295643
0.883 High Similarity NPC272075
0.883 High Similarity NPC136313
0.8804 High Similarity NPC474512
0.8804 High Similarity NPC473242
0.8804 High Similarity NPC470629
0.8804 High Similarity NPC474845
0.8804 High Similarity NPC290690
0.8804 High Similarity NPC181225
0.8804 High Similarity NPC17733
0.8791 High Similarity NPC72638
0.8776 High Similarity NPC54909
0.8776 High Similarity NPC233012
0.8763 High Similarity NPC471966
0.8763 High Similarity NPC124703
0.8763 High Similarity NPC58942
0.8763 High Similarity NPC234617
0.8763 High Similarity NPC260149
0.875 High Similarity NPC157113
0.875 High Similarity NPC25848
0.875 High Similarity NPC230151
0.875 High Similarity NPC19376
0.875 High Similarity NPC259733
0.875 High Similarity NPC476327
0.875 High Similarity NPC158371
0.875 High Similarity NPC207922
0.875 High Similarity NPC476318
0.875 High Similarity NPC167193
0.875 High Similarity NPC307282
0.875 High Similarity NPC62516
0.875 High Similarity NPC305464
0.875 High Similarity NPC472806
0.8737 High Similarity NPC159365
0.8737 High Similarity NPC60692
0.8737 High Similarity NPC74751
0.8737 High Similarity NPC91010
0.8737 High Similarity NPC296164
0.8723 High Similarity NPC145067
0.8723 High Similarity NPC25299
0.8723 High Similarity NPC235884
0.8723 High Similarity NPC52021
0.8723 High Similarity NPC71074
0.8723 High Similarity NPC475708
0.8723 High Similarity NPC300351
0.8723 High Similarity NPC474525
0.8723 High Similarity NPC233455
0.8723 High Similarity NPC472149
0.8723 High Similarity NPC158030
0.8723 High Similarity NPC306541
0.8723 High Similarity NPC4036
0.8723 High Similarity NPC65120
0.8723 High Similarity NPC84319
0.871 High Similarity NPC161751
0.871 High Similarity NPC474700
0.871 High Similarity NPC474972
0.871 High Similarity NPC95246
0.8696 High Similarity NPC162107
0.8696 High Similarity NPC46912
0.8696 High Similarity NPC173089
0.8696 High Similarity NPC158141
0.8687 High Similarity NPC476890
0.8673 High Similarity NPC473576
0.8673 High Similarity NPC475156
0.866 High Similarity NPC43686
0.866 High Similarity NPC158347
0.8646 High Similarity NPC32118
0.8646 High Similarity NPC473240
0.8646 High Similarity NPC139570
0.8646 High Similarity NPC290481

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC164349 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
0.8854 High Similarity NPD7902 Approved
0.8737 High Similarity NPD7748 Approved
0.8723 High Similarity NPD7515 Phase 2
0.8542 High Similarity NPD7900 Approved
0.8542 High Similarity NPD7901 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD8034 Phase 2
0.8333 Intermediate Similarity NPD8035 Phase 2
0.8247 Intermediate Similarity NPD6399 Phase 3
0.8085 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.8022 Intermediate Similarity NPD7645 Phase 2
0.7905 Intermediate Similarity NPD5739 Approved
0.7905 Intermediate Similarity NPD6675 Approved
0.7905 Intermediate Similarity NPD6402 Approved
0.7905 Intermediate Similarity NPD7128 Approved
0.785 Intermediate Similarity NPD6373 Approved
0.785 Intermediate Similarity NPD6372 Approved
0.7812 Intermediate Similarity NPD3618 Phase 1
0.7778 Intermediate Similarity NPD6411 Approved
0.7757 Intermediate Similarity NPD6899 Approved
0.7757 Intermediate Similarity NPD7320 Approved
0.7757 Intermediate Similarity NPD6881 Approved
0.7739 Intermediate Similarity NPD8328 Phase 3
0.7706 Intermediate Similarity NPD6649 Approved
0.7706 Intermediate Similarity NPD6650 Approved
0.7679 Intermediate Similarity NPD7115 Discovery
0.7679 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.767 Intermediate Similarity NPD7638 Approved
0.767 Intermediate Similarity NPD4225 Approved
0.7664 Intermediate Similarity NPD5701 Approved
0.7664 Intermediate Similarity NPD5697 Approved
0.7653 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7615 Intermediate Similarity NPD6883 Approved
0.7615 Intermediate Similarity NPD7290 Approved
0.7615 Intermediate Similarity NPD7102 Approved
0.7604 Intermediate Similarity NPD4786 Approved
0.7596 Intermediate Similarity NPD7639 Approved
0.7596 Intermediate Similarity NPD7640 Approved
0.7579 Intermediate Similarity NPD3667 Approved
0.7576 Intermediate Similarity NPD5328 Approved
0.7576 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD6101 Approved
0.7573 Intermediate Similarity NPD6084 Phase 2
0.7573 Intermediate Similarity NPD6083 Phase 2
0.7545 Intermediate Similarity NPD6617 Approved
0.7545 Intermediate Similarity NPD6869 Approved
0.7545 Intermediate Similarity NPD6847 Approved
0.7545 Intermediate Similarity NPD8130 Phase 1
0.7523 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7523 Intermediate Similarity NPD6013 Approved
0.7523 Intermediate Similarity NPD6014 Approved
0.7523 Intermediate Similarity NPD6012 Approved
0.7477 Intermediate Similarity NPD6882 Approved
0.7477 Intermediate Similarity NPD8297 Approved
0.7449 Intermediate Similarity NPD6684 Approved
0.7449 Intermediate Similarity NPD7334 Approved
0.7449 Intermediate Similarity NPD7146 Approved
0.7449 Intermediate Similarity NPD6409 Approved
0.7449 Intermediate Similarity NPD5330 Approved
0.7449 Intermediate Similarity NPD7521 Approved
0.7431 Intermediate Similarity NPD6011 Approved
0.7426 Intermediate Similarity NPD6079 Approved
0.7404 Intermediate Similarity NPD4755 Approved
0.7387 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD7525 Registered
0.7353 Intermediate Similarity NPD4202 Approved
0.7333 Intermediate Similarity NPD5696 Approved
0.7333 Intermediate Similarity NPD7736 Approved
0.7308 Intermediate Similarity NPD4697 Phase 3
0.73 Intermediate Similarity NPD6903 Approved
0.73 Intermediate Similarity NPD6672 Approved
0.73 Intermediate Similarity NPD5737 Approved
0.7273 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7264 Intermediate Similarity NPD5286 Approved
0.7264 Intermediate Similarity NPD4700 Approved
0.7264 Intermediate Similarity NPD4696 Approved
0.7264 Intermediate Similarity NPD5285 Approved
0.7248 Intermediate Similarity NPD6008 Approved
0.7245 Intermediate Similarity NPD3133 Approved
0.7245 Intermediate Similarity NPD3665 Phase 1
0.7245 Intermediate Similarity NPD3666 Approved
0.7234 Intermediate Similarity NPD6116 Phase 1
0.7228 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7227 Intermediate Similarity NPD7492 Approved
0.7212 Intermediate Similarity NPD5695 Phase 3
0.72 Intermediate Similarity NPD3573 Approved
0.7184 Intermediate Similarity NPD5779 Approved
0.7184 Intermediate Similarity NPD5778 Approved
0.7182 Intermediate Similarity NPD6412 Phase 2
0.7179 Intermediate Similarity NPD6319 Approved
0.7179 Intermediate Similarity NPD6059 Approved
0.7179 Intermediate Similarity NPD6054 Approved
0.7167 Intermediate Similarity NPD6616 Approved
0.7143 Intermediate Similarity NPD5222 Approved
0.7143 Intermediate Similarity NPD5221 Approved
0.7143 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD5225 Approved
0.713 Intermediate Similarity NPD4633 Approved
0.713 Intermediate Similarity NPD5226 Approved
0.713 Intermediate Similarity NPD6274 Approved
0.713 Intermediate Similarity NPD5211 Phase 2
0.713 Intermediate Similarity NPD5224 Approved
0.7128 Intermediate Similarity NPD6117 Approved
0.7117 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD8293 Discontinued
0.7107 Intermediate Similarity NPD7078 Approved
0.7094 Intermediate Similarity NPD7101 Approved
0.7094 Intermediate Similarity NPD7100 Approved
0.7075 Intermediate Similarity NPD5173 Approved
0.7071 Intermediate Similarity NPD3668 Phase 3
0.7064 Intermediate Similarity NPD5174 Approved
0.7064 Intermediate Similarity NPD5175 Approved
0.7059 Intermediate Similarity NPD6370 Approved
0.7059 Intermediate Similarity NPD4753 Phase 2
0.7054 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD5223 Approved
0.7009 Intermediate Similarity NPD6335 Approved
0.7 Intermediate Similarity NPD1694 Approved
0.7 Intermediate Similarity NPD5141 Approved
0.6992 Remote Similarity NPD7319 Approved
0.6991 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6991 Remote Similarity NPD4634 Approved
0.6983 Remote Similarity NPD6868 Approved
0.6979 Remote Similarity NPD6114 Approved
0.6979 Remote Similarity NPD6115 Approved
0.6979 Remote Similarity NPD6697 Approved
0.6979 Remote Similarity NPD6118 Approved
0.6975 Remote Similarity NPD6016 Approved
0.6975 Remote Similarity NPD6015 Approved
0.6975 Remote Similarity NPD6909 Approved
0.6975 Remote Similarity NPD6908 Approved
0.6975 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6972 Remote Similarity NPD7632 Discontinued
0.6964 Remote Similarity NPD6686 Approved
0.6957 Remote Similarity NPD4632 Approved
0.6957 Remote Similarity NPD8133 Approved
0.6952 Remote Similarity NPD6001 Approved
0.6937 Remote Similarity NPD4768 Approved
0.6937 Remote Similarity NPD4767 Approved
0.6931 Remote Similarity NPD6098 Approved
0.6923 Remote Similarity NPD6317 Approved
0.6923 Remote Similarity NPD5284 Approved
0.6923 Remote Similarity NPD5281 Approved
0.6923 Remote Similarity NPD7637 Suspended
0.6917 Remote Similarity NPD5988 Approved
0.6915 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6909 Remote Similarity NPD4754 Approved
0.6893 Remote Similarity NPD6904 Approved
0.6893 Remote Similarity NPD6080 Approved
0.6893 Remote Similarity NPD6673 Approved
0.6887 Remote Similarity NPD4629 Approved
0.6887 Remote Similarity NPD5210 Approved
0.6887 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6885 Remote Similarity NPD7507 Approved
0.6869 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6864 Remote Similarity NPD6313 Approved
0.6864 Remote Similarity NPD6314 Approved
0.6842 Remote Similarity NPD7339 Approved
0.6842 Remote Similarity NPD6942 Approved
0.6833 Remote Similarity NPD8515 Approved
0.6833 Remote Similarity NPD8517 Approved
0.6833 Remote Similarity NPD8513 Phase 3
0.6833 Remote Similarity NPD8516 Approved
0.6822 Remote Similarity NPD7614 Phase 1
0.6814 Remote Similarity NPD4730 Approved
0.6814 Remote Similarity NPD5128 Approved
0.6814 Remote Similarity NPD4729 Approved
0.678 Remote Similarity NPD6009 Approved
0.6771 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6768 Remote Similarity NPD5369 Approved
0.6765 Remote Similarity NPD5279 Phase 3
0.6726 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6721 Remote Similarity NPD7604 Phase 2
0.67 Remote Similarity NPD6435 Approved
0.67 Remote Similarity NPD4221 Approved
0.67 Remote Similarity NPD4223 Phase 3
0.6696 Remote Similarity NPD5248 Approved
0.6696 Remote Similarity NPD5249 Phase 3
0.6696 Remote Similarity NPD5247 Approved
0.6696 Remote Similarity NPD5250 Approved
0.6696 Remote Similarity NPD5251 Approved
0.6694 Remote Similarity NPD5983 Phase 2
0.6667 Remote Similarity NPD4695 Discontinued
0.6667 Remote Similarity NPD7732 Phase 3
0.6667 Remote Similarity NPD5207 Approved
0.6667 Remote Similarity NPD5329 Approved
0.664 Remote Similarity NPD6033 Approved
0.6638 Remote Similarity NPD5216 Approved
0.6638 Remote Similarity NPD5217 Approved
0.6638 Remote Similarity NPD5215 Approved
0.6636 Remote Similarity NPD5282 Discontinued
0.6635 Remote Similarity NPD5208 Approved
0.6634 Remote Similarity NPD4788 Approved
0.6613 Remote Similarity NPD6336 Discontinued
0.6612 Remote Similarity NPD8377 Approved
0.6612 Remote Similarity NPD8294 Approved
0.6604 Remote Similarity NPD6050 Approved
0.6604 Remote Similarity NPD5693 Phase 1
0.6585 Remote Similarity NPD6067 Discontinued
0.6583 Remote Similarity NPD7328 Approved

Structure

External Identifiers

PubChem CID   6712546
ChEMBL   CHEMBL464963
ZINC  

Physicochemical Properties

Molecular Weight:  470.34
ALogP:  1.5926
MLogP:  4.32
XLogP:  6.335
# Rotatable Bonds:  9
Polar Surface Area:  66.76
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  34

Download Data

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