Details of the Drug

General Information of Drug (ID: DM9HMCS)

Drug Name

Ridine-5-carboxylic acid ethyl ester

Synonyms

ridine-5-carboxylic acid ethyl ester; CHEMBL87358; SCHEMBL10960643; 1-(3-Methylpentyl)-4-amino-6-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester

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)

304.39

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C16H24N4O2
IUPAC Name: ethyl 4-amino-6-methyl-1-(3-methylpentyl)pyrazolo[3,4-b]pyridine-5-carboxylate
Canonical SMILES: CCC(C)CCN1C2=NC(=C(C(=C2C=N1)N)C(=O)OCC)C
InChI: InChI=1S/C16H24N4O2/c1-5-10(3)7-8-20-15-12(9-18-20)14(17)13(11(4)19-15)16(21)22-6-2/h9-10H,5-8H2,1-4H3,(H2,17,19)
InChIKey: YWSGZSUSPFMIIN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 14590509
TTD ID: D01PPZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-1 (GABRA1)	TT1MPAY	GBRA1_HUMAN	Inhibitor	[1]
GABA(A) receptor beta-2 (GABRB2)	TTZA1NY	GBRB2_HUMAN	Inhibitor	[1]
GABA(A) receptor gamma-2 (GABRG2)	TT06RH5	GBRG2_HUMAN	Inhibitor	[1]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis and structure-activity relationships of a series of anxioselective pyrazolopyridine ester and amide anxiolytic agents. J Med Chem. 1989 Dec;32(12):2561-73.