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Compound Detail

CHEMBL4280797

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Cc1cc(=O)c(O)c(Cc2ccccc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4280797
Phase Preclinical
Structure Type MOL
InChI Key WHMFIBVHCINQSQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

216.2
MW (Da)
2.24
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.84
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 C13H12O3
MW 216.24
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.45

Literature References

PubMed DOI Target Context # Activities
30245399 10.1016/j.ejmech.2018.09.041 Pseudomonas aeruginosa 2
30108937 10.1039/C7MD00551B U-87 MG 1
30108937 10.1039/C7MD00551B HT-1080 1
30108937 10.1039/C7MD00551B Isocitrate dehydrogenase [NADP] cytoplasmic 1

Data from ChEMBL 36 via Core Engine