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Compound Detail

CHEMBL1165684

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O=C1Nc2ccc(C(=O)Nc3cccnc3)cc2/C1=C1/Nc2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1165684
Phase Preclinical
Structure Type MOL
InChI Key DBWUCPIIJVVDAG-HNENSFHCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
3.31
ALogP
5
HBA
3
HBD
100.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H14N4O3
MW 382.38
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
20488718 10.1016/j.bmc.2010.04.066 No relevant target 1
20488718 10.1016/j.bmc.2010.04.066 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine