Compound Detail
CHEMBL505197
NOCARDIMICIN A Enter ChEMBL ID:
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CCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O
Basic Information
| ChEMBL ID | CHEMBL505197 |
| Name | NOCARDIMICIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGOZXNLEMXJIMS-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
729.9
MW (Da)
5.13
ALogP
11
HBA
5
HBD
211.8
PSA (Ų)
0.05
QED
3
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.23
Ki 1 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 5.9 | 5.9 | 1250.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 5.23 | 5.23 | 5890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 1250.0 | nM | 5.9 | Displacement of [3H]NMS from human muscarinic M3 receptor expressed in insect Sf... | 16038549 |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 5890.0 | nM | 5.23 | Displacement of [3H]NMS from human muscarinic M3 receptor expressed in insect Sf... | 16038549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16038549 | 10.1021/np050091j | Muscarinic acetylcholine receptor M3 | 2 |
Data from ChEMBL 36 via Core Engine