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Compound Detail

CHEMBL4639444

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O=C(NCc1ccc(Cl)cc1)c1ncc2ccccc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4639444
Phase Preclinical
Structure Type MOL
InChI Key ZXYAABQRAVOXBH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

312.8
MW (Da)
3.52
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13ClN2O2
MW 312.76
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.06

Pharmacokinetic Data

Parameter Value Units Species
CL 28.0 mL.min-1.g-1 Mus musculus

Literature References

PubMed DOI Target Context # Activities
32663005 10.1021/acs.jmedchem.0c00705 No relevant target 2
32663005 10.1021/acs.jmedchem.0c00705 Leishmania donovani 1
32663005 10.1021/acs.jmedchem.0c00705 THP-1 1
32663005 10.1021/acs.jmedchem.0c00705 ADMET 1

Data from ChEMBL 36 via Core Engine