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Compound Detail

CHEMBL567063

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CCCc1nc2c(C)cccc2n1Cc1ccc(/C=C/C(=O)OCC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL567063
Phase Preclinical
Structure Type MOL
InChI Key OPTYQMLRONXMEE-CCEZHUSRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
4.92
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N2O2
MW 362.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
20073471 10.1021/jm901272d Peroxisome proliferator-activated receptor gamma 1
20073471 10.1021/jm901272d Type-1 angiotensin II receptor A 1

Data from ChEMBL 36 via Core Engine