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Compound Detail

CHEMBL4095166

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O=C1C[C@@H](c2c[nH]c3ccc(Cl)cc23)C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4095166
Phase Preclinical
Structure Type MOL
InChI Key COWAQTUWATVJAN-QMMMGPOBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

248.7
MW (Da)
1.95
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.76
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 C12H9ClN2O2
MW 248.67
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.41

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