Details of the Drug

General Information of Drug (ID: DMPIJE7)

Drug Name

Becampanel

Synonyms

AMP397; AMP-397; AMP-397A; [(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methylphosphonic acid

Indication

Disease Entry	ICD 11	Status	REF
Epilepsy	8A60-8A68	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

330.19

Logarithm of the Partition Coefficient (xlogp)

-4.4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C10H11N4O7P
IUPAC Name: [(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methylphosphonic acid
Canonical SMILES: C1=C(C=C2C(=C1CNCP(=O)(O)O)NC(=O)C(=O)N2)[N+](=O)[O-]
InChI: InChI=1S/C10H11N4O7P/c15-9-10(16)13-8-5(3-11-4-22(19,20)21)1-6(14(17)18)2-7(8)12-9/h1-2,11H,3-4H2,(H,12,15)(H,13,16)(H2,19,20,21)
InChIKey: ABFMMCZFKUIJGQ-UHFFFAOYSA-N