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Compound Detail

CHEMBL2158876

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O=C(NCc1ccc(Cl)cc1)Nc1cnc2ccccn2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2158876
Phase Preclinical
Structure Type MOL
InChI Key PHANIBHANNYTFG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.8
MW (Da)
2.67
ALogP
4
HBA
2
HBD
75.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13ClN4O2
MW 328.76
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.38

Literature References

PubMed DOI Target Context # Activities
23040894 10.1016/j.bmc.2012.09.008 Unchecked 2

Data from ChEMBL 36 via Core Engine