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Compound Detail

CHEMBL322284

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CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1cc(O)c2cccc(O)c2n1

Basic Information

ChEMBL ID CHEMBL322284
Phase Preclinical
Structure Type MOL
InChI Key GEEJEIXMVFCBTO-GOSISDBHSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

473.6
MW (Da)
3.82
ALogP
6
HBA
4
HBD
140.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H35N3O6
MW 473.57
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.20

Activity Summary

IC50 2 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cholecystokinin receptor type A
CHEMBL3501
IC50 8.15 8.15 7.0 1
Cavia porcellus
CHEMBL369
IC50 6.97 6.97 106.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1766000 10.1021/jm00116a002 Cholecystokinin receptor type A 1
1766000 10.1021/jm00116a002 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine