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Compound Detail

CHEMBL2023856

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COc1ccc(Nc2nc(-c3ccc(C)cc3)cs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2023856
Phase Preclinical
Structure Type MOL
InChI Key QDJZCXQHYHBCAC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
4.87
ALogP
4
HBA
1
HBD
34.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N2OS
MW 296.40
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.76

Literature References

PubMed DOI Target Context # Activities
22516282 10.1016/j.bmcl.2012.03.013 Unchecked 2
22516282 10.1016/j.bmcl.2012.03.013 Prostaglandin G/H synthase 2 2

Data from ChEMBL 36 via Core Engine