Compound Detail
CHEMBL5567377
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CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL5567377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIZHNINWBCQRGY-QJMUSDNHSA-N |
7
Targets
13
Activities
2
Assay Types
5
PK Parameters
12
Publications
0
Known Names
Molecular Properties
3970.4
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 9 meas. best 10.24
IC50 4 meas. best 9.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amylin receptor AMY1, CALCR/RAMP1 CHEMBL2111189 | EC50 | 10.24 | 10.24 | 0.1 | 1 |
| Amylin receptor AMY3; CALCR/RAMP3 CHEMBL2111190 | EC50 | 10.12 | 9.935 | 0.1 | 2 |
| Amylin receptor AMY2; CALCR/RAMP2 CHEMBL2364173 | EC50 | 9.74 | 9.74 | 0.2 | 1 |
| Amylin receptor AMY3; CALCR/RAMP3 CHEMBL2109235 | EC50 | 9.58 | 9.58 | 0.3 | 1 |
| Amylin receptor AMY3; CALCR/RAMP3 CHEMBL2109235 | IC50 | 9.54 | 9.54 | 0.3 | 1 |
| Amylin receptor AMY3; CALCR/RAMP3 CHEMBL2111190 | IC50 | 9.25 | 9.25 | 0.6 | 1 |
| Calcitonin receptor CHEMBL1832 | EC50 | 8.76 | 8.52 | 1.7 | 2 |
| Calcitonin receptor CHEMBL1832 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| Calcitonin receptor CHEMBL2204 | EC50 | 6.99 | 6.99 | 102.5 | 1 |
| Calcitonin receptor CHEMBL2204 | IC50 | 6.87 | 6.87 | 135.0 | 1 |
| Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 CHEMBL2107838 | EC50 | 6.57 | 6.57 | 269.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 40.0 | % | Rattus norvegicus |
| T1/2 | 24.0 | hr | Rattus norvegicus |
| T1/2 | 50.0 | hr | Oryctolagus cuniculus |
| T1/2 | 115.0 | hr | Sus scrofa |
| T1/2 | 76.0 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38960379 | 10.1021/acs.jmedchem.4c00022 | Rattus norvegicus | 18 |
| 38960379 | 10.1021/acs.jmedchem.4c00022 | No relevant target | 8 |
| 38960379 | 10.1021/acs.jmedchem.4c00022 | ADMET | 7 |
| 38960379 | 10.1021/acs.jmedchem.4c00022 | Unchecked | 6 |
| 38960379 | 10.1021/acs.jmedchem.4c00022 | Amylin receptor AMY3; CALCR/RAMP3 | 5 |
| 38960379 | 10.1021/acs.jmedchem.4c00022 | Calcitonin receptor | 5 |
| 38960379 | 10.1021/acs.jmedchem.4c00022 | Canis familiaris | 4 |
| 38960379 | 10.1021/acs.jmedchem.4c00022 | Amylin receptor AMY1, CALCR/RAMP1 | 1 |
| 38960379 | 10.1021/acs.jmedchem.4c00022 | Amylin receptor AMY2; CALCR/RAMP2 | 1 |
| 38960379 | 10.1021/acs.jmedchem.4c00022 | Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 | 1 |
| 38960379 | 10.1021/acs.jmedchem.4c00022 | Adrenomedullin receptor AM1; CALCRL/RAMP2 | 1 |
| 38960379 | 10.1021/acs.jmedchem.4c00022 | Adrenomedullin receptor, AM2; CALCRL/RAMP3 | 1 |
Data from ChEMBL 36 via Core Engine