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Compound Detail

CHEMBL3676245

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COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NC4CCCC4)CC3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3676245
Phase Preclinical
Structure Type MOL
InChI Key YMJNTNQEXZNODN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

488.4
MW (Da)
3.96
ALogP
7
HBA
1
HBD
98.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23Cl2N5O3
MW 488.38
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.84

Activity Summary

IC50 1 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4A
CHEMBL254
 IC50 10.0 10.0 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3',5'-cyclic-AMP phosphodiesterase 4A IC50 = 0.1 nM 10.0 Binding Assay: Human recombinant PDE4 (Gene bank accession no NM006203) was incu... -

Data from ChEMBL 36 via Core Engine