Compound Detail
CHEMBL510340
NOCCARDIMICIN E Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCNC1=O
Basic Information
| ChEMBL ID | CHEMBL510340 |
| Name | NOCCARDIMICIN E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIFYJYLXAXDUEB-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
770.0
MW (Da)
6.59
ALogP
10
HBA
5
HBD
200.4
PSA (Ų)
0.03
QED
2
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.34
Ki 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 6.01 | 6.01 | 970.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 5.34 | 5.34 | 4560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 970.0 | nM | 6.01 | Displacement of [3H]NMS from human muscarinic M3 receptor expressed in insect Sf... | 16038549 |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 4560.0 | nM | 5.34 | 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