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Compound Detail

CHEMBL4644356

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C[C@@H](NC(=O)c1cn(C)c2cccnc2c1=O)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4644356
Phase Preclinical
Structure Type MOL
InChI Key CJNFEJGYWNHYFM-LLVKDONJSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

341.8
MW (Da)
3.08
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.80
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 C18H16ClN3O2
MW 341.80
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.35

Pharmacokinetic Data

Parameter Value Units Species
CL 0.7 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