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Compound Detail

CHEMBL239218

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O=C(Nc1ccccn1)c1cccc(C(=O)Nc2ccccn2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL239218
Phase Preclinical
Structure Type MOL
InChI Key IMAMNPVPEILVEC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.3
MW (Da)
2.38
ALogP
5
HBA
2
HBD
96.9
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 C17H13N5O2
MW 319.32
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.21

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine