Details of the Drug

General Information of Drug (ID: DM6NUCA)

Drug Name

ADR-851

Synonyms

Adr 851; 123805-17-4; UNII-303JW6Z3QJ; 303JW6Z3QJ; Adr-851; PCBGZTCWZUGEJX-QRPNPIFTSA-N; AC1L2WPB; SCHEMBL8785455; DTXSID00154097; 4-Amino-5-chloro-N-(2-pyrrolidinylmethyl)-2,3-dihydrobenzofuran-7-carboxamide hcl; KB-289941; 4-amino-5-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide hydrochloride; 7-Benzofurancarboxamide, 4-amino-5-chloro-2,3-dihydro-N-(2-pyrrolidinylmethyl)-, monohydrochloride, (S)-; (S)-4-amino-5-chloro-N-(2-pyrrolidinylmethyl)-2,3-dihydrobenzo[b]furan-7-carboxamide hydro

Indication

Disease Entry	ICD 11	Status	REF
Nausea and vomiting	MD90	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

332.2

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

3

Hydrogen Bond Donor Count

4

Hydrogen Bond Acceptor Count

4

Chemical Identifiers

Formula: C14H19Cl2N3O2
IUPAC Name: 4-amino-5-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide;hydrochloride
Canonical SMILES: C1C[C@H](NC1)CNC(=O)C2=CC(=C(C3=C2OCC3)N)Cl.Cl
InChI: InChI=1S/C14H18ClN3O2.ClH/c15-11-6-10(13-9(12(11)16)3-5-20-13)14(19)18-7-8-2-1-4-17-8;/h6,8,17H,1-5,7,16H2,(H,18,19);1H/t8-;/m0./s1
InChIKey: PCBGZTCWZUGEJX-QRPNPIFTSA-N

Cross-matching ID

PubChem CID: 130053
CAS Number: 123805-17-4
TTD ID: D01RVA

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	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001323)
2	Analgesic effects of S and R isomers of the novel 5-HT3 receptor antagonists ADR-851 and ADR-882 in rats. Eur J Pharmacol. 1991 Oct 29;204(1):117-9.