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Compound Detail

CHEMBL562972

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O=C1NCc2ccccc2-c2cc[nH]c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL562972
Phase Preclinical
Structure Type MOL
InChI Key KXYLSLPDTXTJDD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

198.2
MW (Da)
1.93
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N2O
MW 198.22
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness 0.42

Literature References

PubMed DOI Target Context # Activities
19743863 10.1021/jm900476c Unchecked 1
19743863 10.1021/jm900476c MCF7 1

Data from ChEMBL 36 via Core Engine