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Compound Detail

CHEMBL2171352

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O=C1c2ccccc2C(=O)c2oc(/C=C/c3ccccc3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171352
Phase Preclinical
Structure Type MOL
InChI Key INIWJLIODBVHRR-ZHACJKMWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
4.23
ALogP
3
HBA
0
HBD
47.3
PSA (Ų)
0.56
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 C20H12O3
MW 300.31
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 0.82

Literature References

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

Data from ChEMBL 36 via Core Engine