Details of the Drug

General Information of Drug (ID: DM4GWL7)

Drug Name

Gefapixant

Synonyms

UNII-6K6L7E3F1L; 6K6L7E3F1L; MK-7264; 1015787-98-0; Gefapixant [USAN]; GTPL9540; SCHEMBL1493905; CHEMBL3716057; HLWURFKMDLAKOD-UHFFFAOYSA-N; ZINC116342482; J3.556.891C; 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylbenzenesulfonamide; 2-Methoxy-4-isopropyl-5-(2,4-diamino-5-pyrimidinyloxy)benzenesulfonamide; 5-(2,4-diamino-pyrimidin-5-yloxy)-4-isopropyl-2-methoxy-benzenesulfonamide; 5-((2,4-Diaminopyrimidin-5-yl)oxy)-2-methoxy-4-(propan-2-yl)benzenesulfonamid

Indication

Disease Entry	ICD 11	Status	REF
Cough	MD12	Phase 3	[1]
Overactive bladder	GC50.0	Phase 2	[2]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

353.4

Logarithm of the Partition Coefficient (xlogp)

0.7

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C14H19N5O4S
IUPAC Name: 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylbenzenesulfonamide
Canonical SMILES: CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)N)S(=O)(=O)N)OC
InChI: InChI=1S/C14H19N5O4S/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19)
InChIKey: HLWURFKMDLAKOD-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 24764487
CAS Number: 1015787-98-0
DrugBank ID: DB15097
TTD ID: D0PL3N

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
P2X purinoceptor 3 (P2RX3)	TT2THBD	P2RX3_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Antibodies and venom peptides: new modalities for ion channels. Nat Rev Drug Discov. 2019 May;18(5):339-357.
2	ClinicalTrials.gov (NCT02477709) A Study to Assess the Tolerability of a Single Dose of AF-219 in Subjects With Idiopathic Pulmonary Fibrosis (IPF).