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Compound Detail

CHEMBL326681

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CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1ccc(OCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL326681
Phase Preclinical
Structure Type MOL
InChI Key URFGXENERSIORJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

479.6
MW (Da)
5.13
ALogP
5
HBA
0
HBD
72.9
PSA (Ų)
0.25
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H37NO5
MW 479.62
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.46

Activity Summary

Ki 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 60.0 nM 7.22 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