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Compound Detail

CHEMBL3676248

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COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(CNCc4ccccc4)CC3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3676248
Phase Preclinical
Structure Type MOL
InChI Key OONPKAUSYOVNRC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.4
MW (Da)
4.69
ALogP
7
HBA
1
HBD
81.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23Cl2N5O2
MW 496.40
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.83

Activity Summary

IC50 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4A
CHEMBL254
 IC50 8.1 8.1 8.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3',5'-cyclic-AMP phosphodiesterase 4A IC50 = 8.0 nM 8.1 Binding Assay: Human recombinant PDE4 (Gene bank accession no NM006203) was incu... -

Data from ChEMBL 36 via Core Engine