Details of the Drug

General Information of Drug (ID: DMO7920)

Drug Name

AM-831

Synonyms

199330-66-0; METHYL 4-AMINOTETRAHYDRO-2H-PYRAN-4-CARBOXYLATE HYDROCHLORIDE; methyl 4-aminooxane-4-carboxylate hydrochloride; METHYL 4-AMINOTETRAHYDROPYRAN-4-CARBOXYLATE HCL; methyl 4-aminotetrahydropyran-4-carboxylate hydrochloride; 2H-Pyran-4-carboxylic acid, 4-aminotetrahydro-, methyl ester, hydrochloride (1:1); SCHEMBL1818830; MolPort-009-013-807; VNPBPEQYIQVYDP-UHFFFAOYSA-N; AM831; KS-000008CU; SBB091929; AKOS025147281; PB10899; AS-36521; DB-065487; CS-0049053; FT-0768000; Q-1506; methyl 4-aminooxane-4-carboxylate,hydroch

Indication

Disease Entry	ICD 11	Status	REF
Schizophrenia	6A20	Discontinued in Phase 1	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

195.64

Topological Polar Surface Area

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Chemical Identifiers

Formula: C7H14ClNO3
IUPAC Name: methyl 4-aminooxane-4-carboxylate;hydrochloride
Canonical SMILES: COC(=O)C1(CCOCC1)N.Cl
InChI: InChI=1S/C7H13NO3.ClH/c1-10-6(9)7(8)2-4-11-5-3-7;/h2-5,8H2,1H3;1H
InChIKey: VNPBPEQYIQVYDP-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 43811077
TTD ID: D0A8IE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2A receptor (HTR2A)	TTJQOD7	5HT2A_HUMAN	Agonist	[2]
Dopamine D2 receptor (D2R)	TTEX248	DRD2_HUMAN	Agonist	[2]
Muscarinic acetylcholine receptor M5 (CHRM5)	TTH18TF	ACM5_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Schizophrenia

ICD Disease Classification

6A20

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Dopamine D2 receptor (D2R)	DTT	DRD2	2.50E-02	-0.08	-0.49

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

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