Compound Detail
CHEMBL428635
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CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)/C=C(\F)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL428635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQOXQZHHBKFAHL-GKJNFFBCSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
4244.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.04
Kd 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Parathyroid hormone/parathyroid hormone-related peptide receptor CHEMBL1793 | Kd | 8.2 | 8.2 | 6.3 | 1 |
| Parathyroid hormone/parathyroid hormone-related peptide receptor CHEMBL1793 | EC50 | 8.04 | 8.04 | 9.1 | 1 |
| OK-1 CHEMBL614209 | EC50 | 8.04 | 8.04 | 9.1 | 1 |
| UMR106-06 CHEMBL613502 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Parathyroid hormone/parathyroid hormone-related peptide receptor | Kd | = | 6.31 | nM | 8.2 | Binding affinity to human PTH receptor expressed in OK-1 cells | 29400967 |
| OK-1 | EC50 | = | 9.1 | nM | 8.04 | Accumulation of cyclic AMP in OK-1 cells. | - |
| Parathyroid hormone/parathyroid hormone-related peptide receptor | EC50 | = | 9.1 | nM | 8.04 | Partial agonist activity at human PTH receptor expressed in OK-1 cells assessed ... | 29400967 |
| UMR106-06 | EC50 | = | 13.0 | nM | 7.89 | Compound was evaluated for the accumulation of cyclic AMP in UMR10606 (rat osteo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00188-6 | OK-1 | 3 |
| 29400967 | 10.1021/acs.jmedchem.7b01788 | Parathyroid hormone/parathyroid hormone-related peptide receptor | 3 |
| - | 10.1016/0960-894X(96)00188-6 | UMR106-06 | 2 |
Data from ChEMBL 36 via Core Engine