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Compound Detail

CHEMBL4080434

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O=C1CC(c2cccc3cc(Cl)ccc23)C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4080434
Phase Preclinical
Structure Type MOL
InChI Key QLEPWSIMBCCTEX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

259.7
MW (Da)
2.62
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10ClNO2
MW 259.69
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
29111717 10.1021/acs.jmedchem.7b00974 Indoleamine 2,3-dioxygenase 1 1

Data from ChEMBL 36 via Core Engine