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Compound Detail

CHEMBL257937

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O=C(Nc1cccc2cccnc12)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL257937
Phase Preclinical
Structure Type MOL
InChI Key SIAVSCPYDVMFEZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.9
MW (Da)
5.71
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H18ClN3O2
MW 439.90
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.60

Literature References

PubMed DOI Target Context # Activities
18308566 10.1016/j.bmcl.2008.02.029 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine