Compound Detail
CHEMBL32492
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O=C(Nc1cccc(-c2nn[nH]n2)c1)NC1N=C(c2ccccc2F)c2cccc(Cl)c2N(CC(=O)N2CC3CCC(CC3)C2)C1=O
Basic Information
| ChEMBL ID | CHEMBL32492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZXHJJGRNCAFKD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
656.1
MW (Da)
4.64
ALogP
7
HBA
3
HBD
148.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 9.18 | 9.18 | 0.7 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 0.66 | nM | 9.18 | Compound was evaluated for the inhibition of 124 I-CCK-8 binding at CCK-B recept... | 9873368 |
| Cholecystokinin receptor type A | IC50 | = | 13.0 | nM | 7.89 | Compound was evaluated for the inhibition of 124 I-CCK-8 binding at Cholecystoki... | 9873368 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873368 | 10.1016/s0960-894x(98)00237-6 | Gastrin/cholecystokinin type B receptor | 1 |
| 9873368 | 10.1016/s0960-894x(98)00237-6 | Cholecystokinin receptor type A | 1 |
| 9873368 | 10.1016/s0960-894x(98)00237-6 | Cholecystokinin receptor | 1 |
Data from ChEMBL 36 via Core Engine