Details of the Drug

General Information of Drug (ID: DMDGFS0)

Drug Name

(3-Amino-phenyl)-phosphonic acid diphenyl ester

Synonyms

CHEMBL158955

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

325.3

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C18H16NO3P
IUPAC Name: 3-diphenoxyphosphorylaniline
Canonical SMILES: C1=CC=C(C=C1)OP(=O)(C2=CC=CC(=C2)N)OC3=CC=CC=C3
InChI: InChI=1S/C18H16NO3P/c19-15-8-7-13-18(14-15)23(20,21-16-9-3-1-4-10-16)22-17-11-5-2-6-12-17/h1-14H,19H2
InChIKey: CJCPJYQCUVSSBA-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-aminobutyric acid B receptor (GABBR)	TTDCVZW	GABR1_HUMAN ; GABR2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Phosphorus analogues of gamma-aminobutyric acid, a new class of anticonvulsants. J Med Chem. 1984 May;27(5):654-9.