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Compound Detail

CHEMBL1438

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CCC1(c2ccccc2)NC(=O)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1438
Phase Preclinical
Structure Type MOL
InChI Key UDTWZFJEMMUFLC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

204.2
MW (Da)
1.13
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H12N2O2
MW 204.23
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
15588087 10.1021/jm040077o Unchecked 1

Data from ChEMBL 36 via Core Engine