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Compound Detail

CHEMBL405912

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COc1cccc(-c2nccc(-n3ccnc3)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL405912
Phase Preclinical
Structure Type MOL
InChI Key OTXIWAPYGGTWCR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
2.34
ALogP
5
HBA
0
HBD
52.8
PSA (Ų)
0.72
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 C14H12N4O
MW 252.28
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -2.07

Literature References

PubMed DOI Target Context # Activities
18333608 10.1021/jm701500e Unchecked 6
18333608 10.1021/jm701500e Cruzipain 2

Data from ChEMBL 36 via Core Engine