Drug Information

Drug ID:  NPD5764
Drug Name:  
Molecular Formula:  C23H34O5
Canonical SMILES:  CC[C@@H](C(=O)O[C@H]1CCC=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C)C
Standard InCHI:  InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
Standard InCHIKey:  AJLFOPYRIVGYMJ-INTXDZFKSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD5764

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 1.0 NPC97577
High Similarity 0.9765 NPC36491
High Similarity 0.9529 NPC256902
High Similarity 0.9529 NPC118193
High Similarity 0.8736 NPC475753
Intermediate Similarity 0.8427 NPC86005
Intermediate Similarity 0.8202 NPC76333
Intermediate Similarity 0.8085 NPC80365
Intermediate Similarity 0.8046 NPC103634
Intermediate Similarity 0.8022 NPC477959
Intermediate Similarity 0.8021 NPC21728
Intermediate Similarity 0.7955 NPC14044
Intermediate Similarity 0.7955 NPC172309
Intermediate Similarity 0.7955 NPC117960
Intermediate Similarity 0.7952 NPC320119
Intermediate Similarity 0.7931 NPC158565
Intermediate Similarity 0.7917 NPC120708
Intermediate Similarity 0.7912 NPC476982
Intermediate Similarity 0.7912 NPC262085
Intermediate Similarity 0.7912 NPC116575
Intermediate Similarity 0.7872 NPC301244
Intermediate Similarity 0.7865 NPC73882
Intermediate Similarity 0.7849 NPC471342
Intermediate Similarity 0.7849 NPC469866
Intermediate Similarity 0.7835 NPC475438
Intermediate Similarity 0.7812 NPC195715
Intermediate Similarity 0.7791 NPC239127
Intermediate Similarity 0.7791 NPC469514
Intermediate Similarity 0.7778 NPC469657
Intermediate Similarity 0.7778 NPC244456
Intermediate Similarity 0.7778 NPC476983
Intermediate Similarity 0.7766 NPC313670
Intermediate Similarity 0.7753 NPC476988
Intermediate Similarity 0.7742 NPC24816
Intermediate Similarity 0.7732 NPC195645
Intermediate Similarity 0.7732 NPC165332
Intermediate Similarity 0.7732 NPC471153
Intermediate Similarity 0.7732 NPC469528
Intermediate Similarity 0.7732 NPC469369
Intermediate Similarity 0.7732 NPC180722
Intermediate Similarity 0.7727 NPC100906
Intermediate Similarity 0.7723 NPC213366
Intermediate Similarity 0.7717 NPC325594
Intermediate Similarity 0.7717 NPC476104
Intermediate Similarity 0.7717 NPC73038
Intermediate Similarity 0.7708 NPC474529
Intermediate Similarity 0.7708 NPC78580
Intermediate Similarity 0.7708 NPC23621
Intermediate Similarity 0.7708 NPC184006
Intermediate Similarity 0.77 NPC473163
Intermediate Similarity 0.77 NPC475558
Intermediate Similarity 0.77 NPC473788
Intermediate Similarity 0.7684 NPC155120
Intermediate Similarity 0.7684 NPC324341
Intermediate Similarity 0.7684 NPC966
Intermediate Similarity 0.7684 NPC471588
Intermediate Similarity 0.7684 NPC26888
Intermediate Similarity 0.7684 NPC6255
Intermediate Similarity 0.7684 NPC228784
Intermediate Similarity 0.7684 NPC288833
Intermediate Similarity 0.7684 NPC282616
Intermediate Similarity 0.7674 NPC255060
Intermediate Similarity 0.7664 NPC476963
Intermediate Similarity 0.766 NPC474700
Intermediate Similarity 0.766 NPC77168
Intermediate Similarity 0.766 NPC84271
Intermediate Similarity 0.766 NPC212598
Intermediate Similarity 0.766 NPC102414
Intermediate Similarity 0.7634 NPC298904
Intermediate Similarity 0.7634 NPC477926
Intermediate Similarity 0.7629 NPC23241
Intermediate Similarity 0.7629 NPC317586
Intermediate Similarity 0.7629 NPC470016
Intermediate Similarity 0.7629 NPC134067
Intermediate Similarity 0.7629 NPC263347
Intermediate Similarity 0.7629 NPC88310
Intermediate Similarity 0.7624 NPC90177
Intermediate Similarity 0.7614 NPC4827
Intermediate Similarity 0.7614 NPC127526
Intermediate Similarity 0.7614 NPC121200
Intermediate Similarity 0.7609 NPC474369
Intermediate Similarity 0.7609 NPC471344
Intermediate Similarity 0.7604 NPC86368
Intermediate Similarity 0.7593 NPC476959
Intermediate Similarity 0.7582 NPC476100
Intermediate Similarity 0.7582 NPC312480
Intermediate Similarity 0.7579 NPC111585
Intermediate Similarity 0.7579 NPC474728
Intermediate Similarity 0.7579 NPC172361
Intermediate Similarity 0.7579 NPC46281
Intermediate Similarity 0.7579 NPC148414
Intermediate Similarity 0.7579 NPC175628
Intermediate Similarity 0.7579 NPC111110
Intermediate Similarity 0.7579 NPC20388
Intermediate Similarity 0.7579 NPC470589
Intermediate Similarity 0.7579 NPC86372
Intermediate Similarity 0.7579 NPC126369
Intermediate Similarity 0.7576 NPC58942
Intermediate Similarity 0.7576 NPC164349
Intermediate Similarity 0.7576 NPC477813
Intermediate Similarity 0.7576 NPC260149
Intermediate Similarity 0.7576 NPC471717
Intermediate Similarity 0.757 NPC473898
Intermediate Similarity 0.7558 NPC330016
Intermediate Similarity 0.7558 NPC476649
Intermediate Similarity 0.7556 NPC327002
Intermediate Similarity 0.7556 NPC14151
Intermediate Similarity 0.7556 NPC473420
Intermediate Similarity 0.7556 NPC142163
Intermediate Similarity 0.7553 NPC474511
Intermediate Similarity 0.7553 NPC242864
Intermediate Similarity 0.7553 NPC1753
Intermediate Similarity 0.7551 NPC173272
Intermediate Similarity 0.7551 NPC9487
Intermediate Similarity 0.7551 NPC476327
Intermediate Similarity 0.7551 NPC476318
Intermediate Similarity 0.7551 NPC98874
Intermediate Similarity 0.7551 NPC132824
Intermediate Similarity 0.7551 NPC269492
Intermediate Similarity 0.7551 NPC88847
Intermediate Similarity 0.7549 NPC96268
Intermediate Similarity 0.7549 NPC239162
Intermediate Similarity 0.7549 NPC475036
Intermediate Similarity 0.7528 NPC308545
Intermediate Similarity 0.7528 NPC82488
Intermediate Similarity 0.7528 NPC327674
Intermediate Similarity 0.7527 NPC82979
Intermediate Similarity 0.7526 NPC470958
Intermediate Similarity 0.7526 NPC222047
Intermediate Similarity 0.7526 NPC240617
Intermediate Similarity 0.7526 NPC470957
Intermediate Similarity 0.7526 NPC209868
Intermediate Similarity 0.7526 NPC469406
Intermediate Similarity 0.7526 NPC166906
Intermediate Similarity 0.75 NPC470590
Intermediate Similarity 0.75 NPC297265
Intermediate Similarity 0.75 NPC471343
Intermediate Similarity 0.75 NPC9868
Intermediate Similarity 0.75 NPC60755
Intermediate Similarity 0.75 NPC77099
Intermediate Similarity 0.75 NPC35751
Intermediate Similarity 0.75 NPC281296
Intermediate Similarity 0.75 NPC475156
Intermediate Similarity 0.75 NPC285184
Intermediate Similarity 0.75 NPC472972
Intermediate Similarity 0.75 NPC476299
Intermediate Similarity 0.75 NPC469867
Intermediate Similarity 0.75 NPC220155
Intermediate Similarity 0.75 NPC89171
Intermediate Similarity 0.75 NPC295799
Intermediate Similarity 0.75 NPC473576
Intermediate Similarity 0.75 NPC474012
Intermediate Similarity 0.75 NPC476802
Intermediate Similarity 0.7475 NPC473456
Intermediate Similarity 0.7475 NPC26413
Intermediate Similarity 0.7475 NPC285513
Intermediate Similarity 0.7475 NPC254496
Intermediate Similarity 0.7475 NPC89225
Intermediate Similarity 0.7475 NPC158347
Intermediate Similarity 0.7474 NPC143232
Intermediate Similarity 0.7474 NPC474889
Intermediate Similarity 0.7474 NPC270768
Intermediate Similarity 0.7474 NPC234346
Intermediate Similarity 0.7474 NPC59263
Intermediate Similarity 0.7474 NPC61543
Intermediate Similarity 0.7474 NPC475921
Intermediate Similarity 0.7474 NPC161751
Intermediate Similarity 0.7474 NPC121798
Intermediate Similarity 0.7474 NPC263393
Intermediate Similarity 0.7474 NPC474686
Intermediate Similarity 0.7474 NPC127689
Intermediate Similarity 0.7474 NPC474570
Intermediate Similarity 0.7474 NPC225585
Intermediate Similarity 0.7474 NPC474704
Intermediate Similarity 0.7474 NPC95246
Intermediate Similarity 0.7474 NPC130520
Intermediate Similarity 0.7474 NPC470588
Intermediate Similarity 0.7474 NPC198664
Intermediate Similarity 0.7474 NPC274330
Intermediate Similarity 0.7474 NPC474972
Intermediate Similarity 0.7474 NPC293048
Intermediate Similarity 0.7473 NPC15910
Intermediate Similarity 0.7473 NPC474979
Intermediate Similarity 0.7453 NPC474315
Intermediate Similarity 0.7451 NPC159442
Intermediate Similarity 0.7449 NPC473240
Intermediate Similarity 0.7449 NPC148523
Intermediate Similarity 0.7449 NPC266899
Intermediate Similarity 0.7449 NPC469599
Intermediate Similarity 0.7449 NPC45324
Intermediate Similarity 0.7449 NPC48330
Intermediate Similarity 0.7449 NPC209355
Intermediate Similarity 0.7449 NPC222845
Intermediate Similarity 0.7449 NPC32118
Intermediate Similarity 0.7449 NPC162001
Intermediate Similarity 0.7447 NPC187376
Intermediate Similarity 0.7447 NPC158141
Intermediate Similarity 0.7447 NPC159046
Intermediate Similarity 0.7447 NPC96496
Intermediate Similarity 0.7447 NPC71507

Drug Structure

External Identifiers

TTD   DNC003318
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   64715
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  390.24
ALogP  -0.5206
MLogP  3.44
XLogP  4.07
HDA  5
HBD  1
Rotatable Bonds  11
TPSA  72.83
RO5 Violation  0