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Compound Detail

CHEMBL3665542

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COc1cc2[nH]c(=O)c(-c3cccs3)c(-c3cccc(-c4ccccn4)c3)c2cc1OC

Basic Information

ChEMBL ID CHEMBL3665542
Phase Preclinical
Structure Type MOL
InChI Key DHJSIGLFEZHWTN-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
6.00
ALogP
5
HBA
1
HBD
64.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20N2O3S
MW 440.52
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -0.88

Activity Summary

Ki 2 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
Ki 7.47 7.47 34.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine