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Compound Detail

CHEMBL3676254

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COc1ccc(C(=O)Cc2ccnc(C#N)c2)n2nc(C3(CO)CC3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3676254
Phase Preclinical
Structure Type MOL
InChI Key VKSXOKUXEVIAHP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
1.45
ALogP
8
HBA
1
HBD
113.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N5O3
MW 363.38
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.51

Activity Summary

IC50 1 meas. best 5.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4A
CHEMBL254
 IC50 5.51 5.51 3100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3',5'-cyclic-AMP phosphodiesterase 4A IC50 = 3100.0 nM 5.51 Binding Assay: Human recombinant PDE4 (Gene bank accession no NM006203) was incu... -

Data from ChEMBL 36 via Core Engine