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Compound Detail

CHEMBL109134

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CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC/C=C/c1ccc(OC)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL109134
Phase Preclinical
Structure Type MOL
InChI Key GQFOBPJRPMZALU-MDZDMXLPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
3.65
ALogP
6
HBA
0
HBD
82.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H33NO6
MW 431.53
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.07

Activity Summary

Ki 1 meas. best 7.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 7.46 7.46 35.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 35.0 nM 7.46 Inhibition constant against peptidyl prolyl isomerase -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80135-9 Unchecked 1

Data from ChEMBL 36 via Core Engine