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Compound Detail

CHEMBL5918385

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COc1ccc(C2=NCC(=O)N(C)c3cc(OC)c(-c4cc(OC)ccc4OC)cc32)cc1

Basic Information

ChEMBL ID CHEMBL5918385
Phase Preclinical
Structure Type MOL
InChI Key UXJIBRWHGTWHMP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
4.20
ALogP
6
HBA
0
HBD
69.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N2O5
MW 446.50
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 0.02

Activity Summary

IC50 1 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
IC50 8.22 8.22 6.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine