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]
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
ChEBI ID
CHEMBL8184
CAS Number
34966-41-1
TTD ID
D0V1CL
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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 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) 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.