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Compound Detail

CHEMBL88845

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O=C1CCc2c(ccc3ccccc23)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL88845
Phase Preclinical
Structure Type MOL
InChI Key LHCKFPGWBPBOKG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

197.2
MW (Da)
2.72
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.69
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 C13H11NO
MW 197.24
Aromatic Rings 2
Heavy Atoms 15

Pharmacokinetic Data

Parameter Value Units Species
T1/2 - hr -

Literature References

PubMed DOI Target Context # Activities
15115404 10.1021/jm030473r NAD-dependent histone deacetylase SIR2 3
15115404 10.1021/jm030473r ADMET 1

Data from ChEMBL 36 via Core Engine