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Compound Detail

CHEMBL295321

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O=C(O)C1c2ccccc2-c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL295321
Phase Preclinical
Structure Type MOL
InChI Key DNVJGJUGFFYUPT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

210.2
MW (Da)
2.88
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10O2
MW 210.23
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.14

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
8145228 10.1021/jm00032a011 Aldo-keto reductase family 1 member B1 1
7752189 10.1021/jm00010a009 Homo sapiens 1

Data from ChEMBL 36 via Core Engine