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Compound Detail

CHEMBL567689

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

Basic Information

ChEMBL ID CHEMBL567689
Phase Preclinical
Structure Type MOL
InChI Key QUBIVVJKQGLAJX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
4.84
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N2O2
MW 364.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.02

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