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Compound Detail

CHEMBL570553

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CC(C)=CC1=C(N)C(=O)c2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL570553
Phase Preclinical
Structure Type MOL
InChI Key SOVGANLMVDXFJR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

227.3
MW (Da)
2.24
ALogP
3
HBA
1
HBD
60.2
PSA (Ų)
0.80
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 C14H13NO2
MW 227.26
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.51

Literature References

PubMed DOI Target Context # Activities
19947600 10.1021/jm900865m ADMET 1
19947600 10.1021/jm900865m PBMC 1
19947600 10.1021/jm900865m SF-295 1
19947600 10.1021/jm900865m HCT-8 1
19947600 10.1021/jm900865m MDA-MB-435 1
19947600 10.1021/jm900865m HL-60 1

Data from ChEMBL 36 via Core Engine