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Compound Detail

CHEMBL2171248

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CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c3cscn3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171248
Phase Preclinical
Structure Type MOL
InChI Key FCRMGXYMDBDKTN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

384.8
MW (Da)
4.78
ALogP
5
HBA
1
HBD
72.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13ClN2O3S
MW 384.84
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
23043222 10.1021/jm3011146 Prostaglandin G/H synthase 2 1
23043222 10.1021/jm3011146 Prostaglandin G/H synthase 1 1
23043222 10.1021/jm3011146 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine