Compound Detail
CHEMBL4755128
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
Basic Information
| ChEMBL ID | CHEMBL4755128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIYFTYMJFKVWKV-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
3.59
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.93
Kd 2 meas. best 7.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.81 | 7.81 | 15.4 | 1 |
| Methionine aminopeptidase 1 CHEMBL2474 | Kd | 7.45 | 7.45 | 35.3 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.93 | 4.93 | 11700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 15.4 | nM | 7.81 | Binding affinity to Leishmania donovani MetAP1 expressed in Escherichia coli BL2... | 31759728 |
| Methionine aminopeptidase 1 | Kd | = | 35.3 | nM | 7.45 | Binding affinity to human MetAP1 expressed in Escherichia coli BL21 (DE3) by sur... | 31759728 |
| Unchecked | IC50 | = | 11700.0 | nM | 4.93 | Inhibition of Leishmania donovani MetAP1 expressed in Escherichia coli BL21 (DE3... | 31759728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31759728 | 10.1016/j.ejmech.2019.111860 | Unchecked | 5 |
| 31759728 | 10.1016/j.ejmech.2019.111860 | Methionine aminopeptidase 1 | 2 |
Data from ChEMBL 36 via Core Engine