Details of the Drug

General Information of Drug (ID: DMSKT8G)

Drug Name

Cartazolate

Synonyms

CARTAZOLATE; 34966-41-1; UNII-8K93Z46WPY; CHEMBL8184; SQ 65396; 8K93Z46WPY; SQ-65396; Cartazolato; Cartazolatum; Ethyl 4-(butylamino)-1-ethyl-1H-pyrazolo(3,4-b)-pyridine-5-carboxylate; 4-Butylamino-1-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester; Cartazolatum [INN-Latin]; Cartazolate [USAN:INN]; Cartazolato [INN-Spanish]; Ethyl 4-(butylamino)-1-ethyl-1H-pyrazolo[3,4-b]-pyridine-5-carboxylate; NSC 166873; AC1L1WUF; Cartazolate (USAN/INN); SCHEMBL123839; DTXSID20188511; IQNQAOGGWGCROX-UHFFFAOYSA-N; BDBM50098221

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)

290.36

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C15H22N4O2
IUPAC Name: ethyl 4-(butylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate
Canonical SMILES: CCCCNC1=C2C=NN(C2=NC=C1C(=O)OCC)CC
InChI: InChI=1S/C15H22N4O2/c1-4-7-8-16-13-11-10-18-19(5-2)14(11)17-9-12(13)15(20)21-6-3/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKey: IQNQAOGGWGCROX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 37015
CAS Number: 34966-41-1
TTD ID: D0V1CL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phosphodiesterase 5A (PDE5A)	TTJ0IQB	PDE5A_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Phosphodiesterase 5A (PDE5A)	DTT	PDE5A	1.60E-01	-0.25	-0.99

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Substituted pyrazolopyridines as potent and selective PDE5 inhibitors: potential agents for treatment of erectile dysfunction. J Med Chem. 2001 Mar 29;44(7):1025-7.