Drug Information

Drug ID:  NPD7901
Drug Name:  
Molecular Formula:  C34H50O7
Canonical SMILES:  O=C(O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)[O-])C)C)C)CCC(=O)[O-]
Standard InCHI:  InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/p-2/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1
Standard InCHIKey:  OBZHEBDUNPOCJG-WBXJDKIVSA-L
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7901

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 0.9333 NPC74751
High Similarity 0.931 NPC162107
High Similarity 0.931 NPC46912
High Similarity 0.9195 NPC10005
High Similarity 0.9195 NPC9892
High Similarity 0.9195 NPC91525
High Similarity 0.9195 NPC329943
High Similarity 0.914 NPC471966
High Similarity 0.9101 NPC475049
High Similarity 0.9032 NPC26413
High Similarity 0.9022 NPC274417
High Similarity 0.9011 NPC214756
High Similarity 0.9011 NPC272075
High Similarity 0.9011 NPC295643
High Similarity 0.9 NPC120840
High Similarity 0.9 NPC113989
High Similarity 0.8989 NPC224145
High Similarity 0.8989 NPC474845
High Similarity 0.8925 NPC327179
High Similarity 0.8913 NPC269729
High Similarity 0.8901 NPC4036
High Similarity 0.8901 NPC65120
High Similarity 0.8901 NPC105189
High Similarity 0.8901 NPC145067
High Similarity 0.8901 NPC470590
High Similarity 0.8901 NPC158030
High Similarity 0.8901 NPC60755
High Similarity 0.8901 NPC285184
High Similarity 0.8901 NPC233455
High Similarity 0.8901 NPC77099
High Similarity 0.8889 NPC30522
High Similarity 0.8842 NPC475202
High Similarity 0.8842 NPC475392
High Similarity 0.8842 NPC475385
High Similarity 0.8817 NPC139570
High Similarity 0.8804 NPC86368
High Similarity 0.8791 NPC120968
High Similarity 0.8791 NPC474728
High Similarity 0.8791 NPC273621
High Similarity 0.8791 NPC477872
High Similarity 0.8791 NPC7260
High Similarity 0.8791 NPC18872
High Similarity 0.8791 NPC290614
High Similarity 0.8791 NPC291028
High Similarity 0.8791 NPC227467
High Similarity 0.8791 NPC193750
High Similarity 0.8791 NPC210037
High Similarity 0.875 NPC312660
High Similarity 0.8736 NPC286786
High Similarity 0.8736 NPC163236
High Similarity 0.8723 NPC98874
High Similarity 0.871 NPC296164
High Similarity 0.871 NPC78580
High Similarity 0.871 NPC23621
High Similarity 0.871 NPC184006
High Similarity 0.8696 NPC187722
High Similarity 0.8696 NPC38754
High Similarity 0.8681 NPC25906
High Similarity 0.8681 NPC290972
High Similarity 0.8681 NPC64872
High Similarity 0.8636 NPC132386
High Similarity 0.8621 NPC290495
High Similarity 0.8621 NPC195334
High Similarity 0.8617 NPC195715
High Similarity 0.8617 NPC148523
High Similarity 0.8617 NPC23241
High Similarity 0.8617 NPC474727
High Similarity 0.8602 NPC474436
High Similarity 0.8602 NPC63118
High Similarity 0.8602 NPC118519
High Similarity 0.8602 NPC202728
High Similarity 0.8602 NPC49776
High Similarity 0.8602 NPC229281
High Similarity 0.8602 NPC158059
High Similarity 0.8602 NPC118490
High Similarity 0.8587 NPC328141
High Similarity 0.8587 NPC130278
High Similarity 0.8571 NPC246708
High Similarity 0.8571 NPC40552
High Similarity 0.8571 NPC182797
High Similarity 0.8571 NPC52169
High Similarity 0.8557 NPC54909
High Similarity 0.8557 NPC93744
High Similarity 0.8557 NPC476888
High Similarity 0.8557 NPC233012
High Similarity 0.8542 NPC58942
High Similarity 0.8542 NPC164349
High Similarity 0.8542 NPC260149
High Similarity 0.8526 NPC62516
High Similarity 0.8526 NPC230151
High Similarity 0.8526 NPC157113
High Similarity 0.8511 NPC191412
High Similarity 0.8511 NPC114159
High Similarity 0.8511 NPC6818
High Similarity 0.8511 NPC159410
High Similarity 0.8506 NPC267517
Intermediate Similarity 0.8495 NPC474525
Intermediate Similarity 0.8478 NPC143232
Intermediate Similarity 0.8478 NPC263393
Intermediate Similarity 0.8478 NPC274330
Intermediate Similarity 0.8478 NPC121798
Intermediate Similarity 0.8478 NPC130520
Intermediate Similarity 0.8478 NPC127689
Intermediate Similarity 0.8478 NPC470588
Intermediate Similarity 0.8478 NPC61543
Intermediate Similarity 0.8478 NPC293048
Intermediate Similarity 0.8478 NPC234346
Intermediate Similarity 0.8478 NPC59263
Intermediate Similarity 0.8478 NPC225585
Intermediate Similarity 0.8478 NPC270768
Intermediate Similarity 0.8478 NPC198664
Intermediate Similarity 0.8469 NPC476890
Intermediate Similarity 0.8469 NPC40918
Intermediate Similarity 0.8462 NPC18064
Intermediate Similarity 0.8462 NPC102683
Intermediate Similarity 0.8462 NPC98442
Intermediate Similarity 0.8462 NPC88716
Intermediate Similarity 0.8462 NPC130577
Intermediate Similarity 0.8462 NPC293564
Intermediate Similarity 0.8462 NPC242468
Intermediate Similarity 0.8462 NPC51700
Intermediate Similarity 0.8462 NPC171203
Intermediate Similarity 0.8462 NPC68160
Intermediate Similarity 0.8462 NPC307426
Intermediate Similarity 0.8462 NPC142415
Intermediate Similarity 0.8438 NPC226986
Intermediate Similarity 0.8438 NPC473456
Intermediate Similarity 0.8438 NPC476878
Intermediate Similarity 0.8438 NPC89225
Intermediate Similarity 0.8438 NPC476879
Intermediate Similarity 0.8438 NPC158347
Intermediate Similarity 0.8438 NPC23680
Intermediate Similarity 0.8438 NPC259788
Intermediate Similarity 0.8438 NPC255589
Intermediate Similarity 0.8421 NPC96916
Intermediate Similarity 0.8409 NPC108476
Intermediate Similarity 0.8404 NPC169343
Intermediate Similarity 0.8404 NPC74855
Intermediate Similarity 0.8404 NPC474185
Intermediate Similarity 0.8404 NPC136313
Intermediate Similarity 0.8404 NPC307335
Intermediate Similarity 0.8387 NPC470589
Intermediate Similarity 0.8387 NPC111110
Intermediate Similarity 0.8387 NPC46441
Intermediate Similarity 0.8387 NPC126369
Intermediate Similarity 0.8384 NPC95585
Intermediate Similarity 0.8384 NPC476889
Intermediate Similarity 0.8384 NPC282233
Intermediate Similarity 0.837 NPC474512
Intermediate Similarity 0.837 NPC17733
Intermediate Similarity 0.837 NPC473242
Intermediate Similarity 0.837 NPC181225
Intermediate Similarity 0.837 NPC290690
Intermediate Similarity 0.837 NPC470629
Intermediate Similarity 0.8352 NPC74363
Intermediate Similarity 0.8352 NPC325594
Intermediate Similarity 0.8352 NPC72638
Intermediate Similarity 0.8352 NPC475862
Intermediate Similarity 0.8352 NPC84121
Intermediate Similarity 0.8352 NPC137306
Intermediate Similarity 0.8351 NPC478056
Intermediate Similarity 0.8333 NPC472806
Intermediate Similarity 0.8333 NPC96095
Intermediate Similarity 0.8333 NPC132824
Intermediate Similarity 0.8333 NPC207922
Intermediate Similarity 0.8333 NPC73004
Intermediate Similarity 0.8333 NPC116457
Intermediate Similarity 0.8333 NPC204961
Intermediate Similarity 0.8333 NPC167193
Intermediate Similarity 0.8333 NPC310546
Intermediate Similarity 0.8333 NPC158371
Intermediate Similarity 0.8333 NPC259733
Intermediate Similarity 0.8333 NPC173744
Intermediate Similarity 0.8316 NPC91010
Intermediate Similarity 0.8316 NPC474529
Intermediate Similarity 0.8316 NPC299996
Intermediate Similarity 0.8316 NPC60692
Intermediate Similarity 0.8316 NPC20235
Intermediate Similarity 0.8316 NPC282395
Intermediate Similarity 0.8316 NPC32407
Intermediate Similarity 0.8316 NPC88116
Intermediate Similarity 0.8316 NPC263548
Intermediate Similarity 0.8316 NPC231063
Intermediate Similarity 0.8316 NPC145667
Intermediate Similarity 0.8316 NPC148964
Intermediate Similarity 0.8298 NPC84319
Intermediate Similarity 0.8298 NPC966
Intermediate Similarity 0.8298 NPC288833
Intermediate Similarity 0.8298 NPC324341
Intermediate Similarity 0.8298 NPC228784
Intermediate Similarity 0.8298 NPC282616
Intermediate Similarity 0.8298 NPC472149
Intermediate Similarity 0.8298 NPC71074
Intermediate Similarity 0.8298 NPC300351
Intermediate Similarity 0.8298 NPC235884
Intermediate Similarity 0.8298 NPC52021
Intermediate Similarity 0.8298 NPC160506
Intermediate Similarity 0.8298 NPC155120
Intermediate Similarity 0.8298 NPC306541
Intermediate Similarity 0.8298 NPC25299

Drug Structure

External Identifiers

TTD   DIB008173
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   636402
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  568.34
ALogP  0.5265
MLogP  4.43
XLogP  5.893
HDA  7
HBD  0
Rotatable Bonds  15
TPSA  123.63
RO5 Violation  1