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Compound Detail

CHEMBL2035452

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CNCc1cc(-c2ccccc2)n(C(=O)c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2035452
Phase Preclinical
Structure Type MOL
InChI Key GICAWSJROFHCDD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

290.4
MW (Da)
3.56
ALogP
3
HBA
1
HBD
34.0
PSA (Ų)
0.80
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 C19H18N2O
MW 290.37
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
22579619 10.1016/j.bmc.2012.04.014 Unchecked 1
22579619 10.1016/j.bmc.2012.04.014 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine