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Compound Detail

CHEMBL229301

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O=C(O)c1cc2ccccc2cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL229301
Phase Preclinical
Structure Type MOL
InChI Key ALKYHXVLJMQRLQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

188.2
MW (Da)
2.24
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.72
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 C11H8O3
MW 188.18
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness 0.09

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
32240584 10.1021/acs.jmedchem.0c00007 Enoyl-[acyl-carrier-protein] reductase [NADH] 5
17692525 10.1016/j.bmc.2007.07.010 Tyrosine-protein phosphatase non-receptor type 1 1
22112538 10.1016/j.bmc.2011.10.068 Indoleamine 2,3-dioxygenase 1 1

Data from ChEMBL 36 via Core Engine