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Compound Detail

CHEMBL565379

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

Basic Information

ChEMBL ID CHEMBL565379
Phase Preclinical
Structure Type MOL
InChI Key BAPKLCUYMABXMZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
5.07
ALogP
5
HBA
0
HBD
53.4
PSA (Ų)
0.50
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N2O3
MW 394.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.10

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