General Information of the Compound
Compound ID
CP0438880
Compound Name
4-Butylamino-1-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester
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Synonyms
34966-41-1
4-Butylamino-1-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester
8K93Z46WPY
AC1L1WUF
BDBM50098221
CARTAZOLATE
CHEMBL8184
Cartazolate
Cartazolate (USAN/INN)
Cartazolate [USAN:INN]
Cartazolato
Cartazolato [INN-Spanish]
Cartazolatum
Cartazolatum [INN-Latin]
DTXSID20188511
Ethyl 4-(butylamino)-1-ethyl-1H-pyrazolo(3,4-b)-pyridine-5-carboxylate
Ethyl 4-(butylamino)-1-ethyl-1H-pyrazolo[3,4-b]-pyridine-5-carboxylate
IQNQAOGGWGCROX-UHFFFAOYSA-N
NSC 166873
SCHEMBL123839
SQ 65396
SQ-65396
UNII-8K93Z46WPY
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Structure
Formula
C15H22N4O2
Molecular Weight
290.367
Canonical SMILES
CCCCNc1c(cnc2n(CC)ncc12)C(=O)OCC
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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)
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InChIKey
IQNQAOGGWGCROX-UHFFFAOYSA-N
CAS
34966-41-1
Physicochemical Property
logP
2.8399
Rotatable Bonds
7
Heavy Atom Count
21
Polar Areas
69.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 37015
SID: 22395440
ChEMBL ID
CHEMBL8184
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 199.53 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cartazolate )
Drug Name Cartazolate
Target(s)
Phosphodiesterase 5A (PDE5A)
 Target Info 
Inhibitor