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Compound Detail

CHEMBL3676233

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COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(-c3ccco3)nc12

Basic Information

ChEMBL ID CHEMBL3676233
Phase Preclinical
Structure Type MOL
InChI Key WOWDDTFMTILECG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.2
MW (Da)
4.13
ALogP
7
HBA
0
HBD
82.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12Cl2N4O3
MW 403.23
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4A
CHEMBL254
IC50 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine