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Compound Detail

CHEMBL118415

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c1ccc(Nc2nc(-c3cccs3)nc3ccccc23)cc1

Basic Information

ChEMBL ID CHEMBL118415
Phase Preclinical
Structure Type MOL
InChI Key IELJCFNWBRXBQF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
5.10
ALogP
4
HBA
1
HBD
37.8
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13N3S
MW 303.39
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.86

Activity Summary

IC50 1 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
IC50 5.62 5.62 2400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7658441 10.1021/jm00018a014 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine