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Compound Detail

CHEMBL3128158

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CC12CCCC=C1c1c(nc[nH]c1=O)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3128158
Phase Preclinical
Structure Type MOL
InChI Key CMNCRHHVILVVIP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

204.2
MW (Da)
1.49
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.70
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 C11H12N2O2
MW 204.23
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 1.15

Literature References

PubMed DOI Target Context # Activities
24534487 10.1016/j.bmcl.2014.01.072 Unchecked 3

Data from ChEMBL 36 via Core Engine