Compound Detail
CHEMBL1203858
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
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](O)[C@H](N)CCCCN.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL1203858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLZQKMHLAWEASY-YUFDCCDASA-N |
| Parent Compound | CHEMBL368811 |
| Active Moiety | CHEMBL368811 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
0.19
ALogP
6
HBA
5
HBD
143.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Aminopeptidase N CHEMBL3259 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 210.0 | nM | 6.68 | Compound was evaluated for its inhibitory potency against purified membrane boun... | 1347791 |
| Aminopeptidase N | IC50 | = | 10200.0 | nM | 4.99 | Compound was evaluated for its inhibitory potency against purified membrane boun... | 1347791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1347791 | 10.1021/jm00083a013 | Mus musculus | 3 |
| 1347791 | 10.1021/jm00083a013 | Aminopeptidase N | 1 |
| 1347791 | 10.1021/jm00083a013 | Unchecked | 1 |
| 1347791 | 10.1021/jm00083a013 | Aminopeptidase B | 1 |
Data from ChEMBL 36 via Core Engine