Drug Information

Drug ID:  NPD8812
Drug Name:  Forigerimod Acetate
Molecular Formula:  C5H12NO5P.C2H4O2
Canonical SMILES:  CC(=O)O.CN[C@H](C(=O)C)COP(=O)(O)O
Standard InCHI:  InChI=1S/C5H12NO5P.C2H4O2/c1-4(7)5(6-2)3-11-12(8,9)10;1-2(3)4/h5-6H,3H2,1-2H3,(H2,8,9,10);1H3,(H,3,4)/t5-;/m0./s1
Standard InCHIKey:  RZLQANFWSBJHDK-JEDNCBNOSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8812

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 0.6964 NPC286989
Remote Similarity 0.6364 NPC198301
Remote Similarity 0.6271 NPC315977
Remote Similarity 0.6102 NPC93888
Remote Similarity 0.6102 NPC270805
Remote Similarity 0.6 NPC292422

Drug Structure

External Identifiers

TTD  
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ChEMBL  
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PharmaGKB  
KEGG Drug  
PubChem CID  
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Drug Properties

Molecular Weight  197.05
ALogP  -1.1136
MLogP  1.24
XLogP  -2.364
HDA  6
HBD  3
Rotatable Bonds  9
TPSA  105.67
RO5 Violation  0