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Compound Detail

CHEMBL4170967

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COC(=O)c1cc2cc(C3Nc4ccccc4C(=O)N3C)cc(C)c2oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4170967
Phase Preclinical
Structure Type MOL
InChI Key YOCPGJUGMSXHDZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
3.08
ALogP
6
HBA
1
HBD
88.8
PSA (Ų)
0.54
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 C21H18N2O5
MW 378.38
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
29709786 10.1016/j.ejmech.2018.04.037 Hydroxycarboxylic acid receptor 2 1

Data from ChEMBL 36 via Core Engine