Compound Detail
CHEMBL152640
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Cc1cc(C)c(C)c(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(C#N)c4)cccc32)c1C
Basic Information
| ChEMBL ID | CHEMBL152640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNTXQDRFWJBZGO-FJEPWZHXSA-N |
4
Targets
5
Activities
2
Assay Types
6
PK Parameters
8
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
5.26
ALogP
5
HBA
2
HBD
90.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.37
Ki 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL4720 | IC50 | 9.37 | 9.37 | 0.4 | 1 |
| Glucagon receptor CHEMBL1985 | IC50 | 8.64 | 8.64 | 2.3 | 2 |
| Rattus norvegicus CHEMBL376 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| Pituitary adenylate cyclase-activating polypeptide type I receptor CHEMBL5399 | Ki | 7.14 | 7.14 | 72.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 15.0 | % | Canis lupus familiaris |
| F | 15.0 | % | Canis lupus familiaris |
| T1/2 | 1.11 | hr | Canis lupus familiaris |
| T1/2 | 1.1 | hr | Canis lupus familiaris |
| Tmax | 0.5 | hr | Canis lupus familiaris |
| Tmax | 0.5 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | IC50 | = | 0.43 | nM | 9.37 | In vitro binding affinity towards rat glucagon receptor | 12477359 |
| Glucagon receptor | IC50 | = | 2.3 | nM | 8.64 | In vitro binding affinity for recombinant human glucagon receptor (hGGR) in BHK ... | 12477359 |
| Glucagon receptor | IC50 | = | 2.3 | nM | 8.64 | Antagonist activity against human glucagon receptor | 25127101 |
| Rattus norvegicus | Ki | = | 14.0 | nM | 7.85 | Inhibitory activity against glucogon-stimulated glucose production from isolated... | 12477359 |
| Pituitary adenylate cyclase-activating polypeptide type I receptor | Ki | = | 72.0 | nM | 7.14 | Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells | 18272364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12477359 | 10.1021/jm0208572 | Glucagon receptor | 4 |
| 12477359 | 10.1021/jm0208572 | Canis familiaris | 4 |
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| 25127101 | 10.1016/j.bmcl.2014.07.025 | Canis familiaris | 2 |
| 12477359 | 10.1021/jm0208572 | ADMET | 1 |
| 12477359 | 10.1021/jm0208572 | Rattus norvegicus | 1 |
| 18272364 | 10.1016/j.bmcl.2008.01.052 | Pituitary adenylate cyclase-activating polypeptide type I receptor | 1 |
| 25127101 | 10.1016/j.bmcl.2014.07.025 | Glucagon receptor | 1 |
Data from ChEMBL 36 via Core Engine