General
Preferred name
PD007223
Synonyms
1-(2-Chlorophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester ()
Ethyl 1-(2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate ()
P&D ID
PD007223
CAS
849416-72-4
Tags
drug candidate
Drug Status
experimental
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Ethyl 1-(2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate is an inhibitor of cAMP-specific 3',5'-cAMP phosphodiesterase 4 (IC50 = 0.019 µM).
(Enamine Bioactive Compounds)
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Compound Sets
2
DrugBank
Enamine Bioactive Compounds
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[[ ligand_id ]]
free of charge
External IDs
11
Molecular Weight
278.08
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
2
cLogP
3.32
TPSA
44.12
Fraction CSP3
0.29
Chiral centers
0.0
Largest ring
6.0
QED
0.81
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
