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Compound Detail

CHEMBL2171349

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O=C(O)/C=C/c1cc2c(o1)C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171349
Phase Preclinical
Structure Type MOL
InChI Key HJGPUHBGONUOGN-AATRIKPKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

268.2
MW (Da)
2.15
ALogP
4
HBA
1
HBD
84.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H8O5
MW 268.22
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 1.02

Literature References

PubMed DOI Target Context # Activities
22845014 10.1021/jm3009597 HaCaT 2

Data from ChEMBL 36 via Core Engine