Compound Detail
CHEMBL2110201
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Cc1ccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)cc1Nc1nn[nH]n1
Basic Information
| ChEMBL ID | CHEMBL2110201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOGNGOKKKSYZQA-QFIPXVFZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
3.75
ALogP
7
HBA
4
HBD
140.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 10.13 | 10.13 | 0.1 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.1 | 6.1 | 802.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 0.074 | nM | 10.13 | Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type B receptor in gui... | 8632408 |
| Cholecystokinin receptor type A | IC50 | = | 802.0 | nM | 6.1 | Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type A receptor in pan... | 8632408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8632408 | 10.1021/jm9506736 | Cholecystokinin receptor type A | 1 |
| 8632408 | 10.1021/jm9506736 | Gastrin/cholecystokinin type B receptor | 1 |
| 8632408 | 10.1021/jm9506736 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine