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Compound Detail

CHEMBL2207972

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COc1ccc(-c2nc(SC)[nH]c2-c2ccc(Cl)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2207972
Phase Preclinical
Structure Type MOL
InChI Key SSBRSSYIURUHLW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.8
MW (Da)
5.13
ALogP
3
HBA
1
HBD
37.9
PSA (Ų)
0.67
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15ClN2OS
MW 330.84
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
23117172 10.1016/j.bmc.2012.09.050 Radical scavenging activity 1
23117172 10.1016/j.bmc.2012.09.050 Unchecked 1

Data from ChEMBL 36 via Core Engine