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Compound Detail

CHEMBL239002

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O=C(Nc1ccccn1)c1ccc(C(=O)Nc2ccccn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL239002
Phase Preclinical
Structure Type MOL
InChI Key MGPUCIDTPHNZJM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
2.98
ALogP
4
HBA
2
HBD
84.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N4O2
MW 318.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
17719791 10.1016/j.bmc.2007.08.003 Unchecked 1

Data from ChEMBL 36 via Core Engine