Details of the Drug

General Information of Drug (ID: DM4AMQZ)

Drug Name

Crofelemer

Synonyms

Fulyzaq (TN)

Indication

Disease Entry	ICD 11	Status	REF
HIV-associated diarrhoea	1A2Z	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

308.3

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C18H16N2O3
IUPAC Name: N-[(2-methoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
Canonical SMILES: COC1=CC=CC=C1CNC(=O)C2=NOC(=C2)C3=CC=CC=C3
InChI: InChI=1S/C18H16N2O3/c1-22-16-10-6-5-9-14(16)12-19-18(21)15-11-17(23-20-15)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,19,21)
InChIKey: JDNAIBCYTQGWFC-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium-dependent chloride channel anoctamin (ANO)	TTOJI4S	ANO1_HUMAN	Modulator	[2]
cAMP-dependent chloride channel (CFTR)	TTRLZHP	CFTR_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7453).
2	Nat Rev Drug Discov. 2013 Feb;12(2):87-90.