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Compound Detail

CHEMBL2324632

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COC(=O)c1cc(-c2ccc(N)cc2)cn1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2324632
Phase Preclinical
Structure Type MOL
InChI Key NPUTUVDECBQMOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
2.06
ALogP
4
HBA
1
HBD
57.2
PSA (Ų)
0.63
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 C13H14N2O2
MW 230.27
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
23514599 10.1021/jm301882a WI-38 1
23514599 10.1021/jm301882a NON-PROTEIN TARGET 1
23514599 10.1021/jm301882a MIA PaCa-2 1
23514599 10.1021/jm301882a MDA-MB-231 1
23514599 10.1021/jm301882a MCF7 1
23514599 10.1021/jm301882a A2780 1
23514599 10.1021/jm301882a A549 1
23514599 10.1021/jm301882a A-431 1

Data from ChEMBL 36 via Core Engine