Compound Detail
CHEMBL2371594
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CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)CSSC[C@@H](C(=O)N2C[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)O)Cc3ccccc32)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2371594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHABYRQAORONSG-APERMTBBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1698.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 6.7 | 6.36 | 200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 200.0 | nM | 6.7 | In vitro 100 nM cortex affinity to displace [3H]- -pirenzepine providing a measu... | - |
| Muscarinic acetylcholine receptor M1 | Ki | = | 960.0 | nM | 6.02 | In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of mus... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80537-5 | Muscarinic acetylcholine receptor M1 | 5 |
Data from ChEMBL 36 via Core Engine