Compound Detail
CHEMBL2370110
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CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)C[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2370110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQMGUCSNMWQMAM-ZKQHQRMCSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1235.5
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.17 | 6.17 | 676.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 808.0 | ng.hr.mL-1 | Mus musculus |
| CL | 0.001 | ml/hr | Mus musculus |
| Cmax | 675.05 | nM | Mus musculus |
| T1/2 | 0.5 | hr | Mus musculus |
| Tmax | 1.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 676.08 | nM | 6.17 | Displacement of [125I]-Tyr6, His5 from human LHRH1 receptor expressed in HEK 293... | 23127987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23127987 | 10.1016/j.ejmech.2012.09.043 | Mus musculus | 9 |
| 23127987 | 10.1016/j.ejmech.2012.09.043 | Plasma | 3 |
| 23127987 | 10.1016/j.ejmech.2012.09.043 | Unchecked | 2 |
| 23127987 | 10.1016/j.ejmech.2012.09.043 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine