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Compound Detail

CHEMBL503420

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O=S1(=O)N=C(O)c2ccccc2N1

Basic Information

ChEMBL ID CHEMBL503420
Phase Preclinical
Structure Type MOL
InChI Key MQZXGMYANOJYIY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

198.2
MW (Da)
0.66
ALogP
2
HBA
2
HBD
78.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H6N2O3S
MW 198.20
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.59

Activity Summary

IC50 1 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 7
CHEMBL2111411
IC50 5.1 5.1 8000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 7 IC50 = 8000.0 nM 5.1 Inhibition of full length PDE7 (unknown origin) using FAM-cAMP as substrate by f... 36796299

Literature References

PubMed DOI Target Context # Activities
18082290 10.1016/j.ejmech.2007.10.027 High affinity 3',5'-cyclic-AMP phosphodiesterase 7A 1
18082290 10.1016/j.ejmech.2007.10.027 cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A 1
18082290 10.1016/j.ejmech.2007.10.027 3',5'-cyclic-AMP phosphodiesterase 4B 1
36796299 10.1016/j.ejmech.2023.115194 Phosphodiesterase 7 1

Data from ChEMBL 36 via Core Engine