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Compound Detail

CHEMBL4163670

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CC1=CC(C2Nc3ccccc3C(=O)N2C)=C/C(=C/Nc2ccc(Cl)cc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4163670
Phase Preclinical
Structure Type MOL
InChI Key NUVAGGWUDFBOTA-SSZFMOIBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.9
MW (Da)
4.62
ALogP
4
HBA
2
HBD
61.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20ClN3O2
MW 405.89
Aromatic Rings 2
Heavy Atoms 29
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