Drug Information

Drug ID:  NPD5337
Drug Name:  Lanopepden
Molecular Formula:  C22H34FN7O4
Canonical SMILES:  O=CN(C[C@H](C(=NNc1nc(C)nc(c1F)N1CCN2[C@@H](C1)COCC2)O)CC1CCCC1)O
Standard InCHI:  InChI=1S/C22H34FN7O4/c1-15-24-20(19(23)21(25-15)29-7-6-28-8-9-34-13-18(28)12-29)26-27-22(32)17(11-30(33)14-31)10-16-4-2-3-5-16/h14,16-18,33H,2-13H2,1H3,(H,27,32)(H,24,25,26)/t17-,18+/m1/s1
Standard InCHIKey:  SWHNZGMQMGFQGW-MSOLQXFVSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5337

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
Remote Similarity 0.6429 NPC313897
Remote Similarity 0.5855 NPC24589
Remote Similarity 0.5801 NPC93365
Remote Similarity 0.5778 NPC472834
Remote Similarity 0.5765 NPC78941
Remote Similarity 0.5765 NPC282458
Remote Similarity 0.5756 NPC317821
Remote Similarity 0.5739 NPC309832
Remote Similarity 0.5714 NPC89139
Remote Similarity 0.5693 NPC208751
Remote Similarity 0.5691 NPC290959
Remote Similarity 0.5685 NPC313514
Remote Similarity 0.5682 NPC189068
Remote Similarity 0.565 NPC219313
Remote Similarity 0.5625 NPC21448
Remote Similarity 0.5625 NPC156461
Remote Similarity 0.5625 NPC107374
Remote Similarity 0.5607 NPC129756

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  479.27
ALogP  -1.6851
MLogP  2.56
XLogP  2.639
HDA  9
HBD  3
Rotatable Bonds  13
TPSA  126.65
RO5 Violation  0