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Compound Detail

CHEMBL102633

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CCCN1C(=O)C(NC(=O)Nc2cccc(CC)c2)N=C(N2CCN(C)CC2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL102633
Phase Preclinical
Structure Type MOL
InChI Key LMXPIMORKRARLS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
3.15
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.72
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 C26H34N6O2
MW 462.60
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 8.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gastrin/cholecystokinin type B receptor
CHEMBL298
IC50 8.31 8.31 4.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00530-0 Cholecystokinin receptor type A 2
- 10.1016/0960-894X(95)00530-0 Gastrin/cholecystokinin type B receptor 1

Data from ChEMBL 36 via Core Engine