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Compound Detail

CHEMBL323035

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CCOC(=O)C1CCCCN1C(=O)C(=O)C1(OC)CCCCC1

Basic Information

ChEMBL ID CHEMBL323035
Phase Preclinical
Structure Type MOL
InChI Key VDGGTSGXJWNPAU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
1.85
ALogP
5
HBA
0
HBD
72.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H27NO5
MW 325.41
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 0.01

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