Details of the Drug

General Information of Drug (ID: DMZ4MCG)

Drug Name

KB-6806

Synonyms

Prucalopride succinate; 179474-85-2; Prucalopride Succinat; Prucalopride (succinate); UNII-4V2G75E1CK; R-108512; BUTANEDIOIC ACID 4-AMINO-5-CHLORO-2,3-DIHYDRO-N-[1-(3-METHOXYPROPYL)-4-PIPERIDINYL]-7-BENZOFURANCARBOXAMIDE; Prucalopride succinate [USAN]; 4V2G75E1CK; R 108512; AK175654; Prucalopride succinate (USAN); resotran; Butanedioic acid, compd. with 4-amino-5-chloro-2,3-dihydro-N-(1-(3-methoxypropyl)-4-piperidinyl)-7-benzofurancarboxamide (1:1); Butanedioic acid, compd. with 4-amino-5-chloro-2,3-dihydro-N-[1-

Indication

Disease Entry	ICD 11	Status	REF
Chemotherapy-induced nausea	MD90	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

307.82

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H22ClN5
IUPAC Name: 6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine
Canonical SMILES: CC(C)N1C2=C(C=C(C(=C2)N)Cl)N=C1N3CCN(CC3)C
InChI: InChI=1S/C15H22ClN5/c1-10(2)21-14-9-12(17)11(16)8-13(14)18-15(21)20-6-4-19(3)5-7-20/h8-10H,4-7,17H2,1-3H3
InChIKey: QEANRFDFBNUCJR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3073291
CAS Number: 148014-93-1
TTD ID: D0E2JN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 3 receptor (5HT3R)	TTNXLKE	NOUNIPROTAC	Antagonist	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Emerging drugs for chemotherapy-induced emesis. Expert Opin Emerg Drugs. 2006 Mar;11(1):137-51.