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Compound Detail

CHEMBL47807

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CC(=O)c1ccc(O)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL47807
Phase Preclinical
Structure Type MOL
InChI Key IAMNVCJECQWBLZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

150.2
MW (Da)
1.90
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H10O2
MW 150.18
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 0.43

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
12729643 10.1016/s0960-894x(03)00237-3 Inosine-5'-monophosphate dehydrogenase (IMPDH) 1

Data from ChEMBL 36 via Core Engine