Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL111587

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCOC(=O)C1CCCCN1C(=O)C(=O)C(C)(C)COC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111587
Phase Preclinical
Structure Type MOL
InChI Key AWDVACRNZJJBAN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
1.09
ALogP
6
HBA
0
HBD
90.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25NO6
MW 327.38
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness -0.19

Activity Summary

Ki 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 1000.0 nM 6.0 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