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Compound Detail

CHEMBL1643583

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O=c1cc(-c2ccc[nH]2)[nH]c2c1ccc1[nH]ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1643583
Phase Preclinical
Structure Type MOL
InChI Key MZCWLPBUKQCDME-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
3.00
ALogP
1
HBA
3
HBD
64.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11N3O
MW 249.27
Aromatic Rings 4
Heavy Atoms 19
NP-Likeness 0.10

Literature References

PubMed DOI Target Context # Activities
21145750 10.1016/j.bmc.2010.11.010 HUVEC 1

Data from ChEMBL 36 via Core Engine