Compound Detail
CHEMBL199461
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Basic Information
| ChEMBL ID | CHEMBL199461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUXGXOSPVHKQIY-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
305.4
MW (Da)
3.92
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase CHEMBL3423 | IC50 | 5.62 | 5.62 | 2397.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.61 | 5.61 | 2460.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.12 | 5.12 | 7580.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 5.04 | 5.04 | 9220.0 | 1 |
| Methionine aminopeptidase 1 CHEMBL2474 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase | IC50 | = | 2397.0 | nM | 5.62 | Inhibition of Co2+ loaded MetAP expressed in Escherichia coli | 16420038 |
| Unchecked | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of Escherichia coli MetAP | 20621724 |
| HCT-116 | IC50 | = | 2460.0 | nM | 5.61 | Cytotoxicity against human HCT116 cells assessed as inhibition of cell prolifera... | 25936258 |
| HepG2 | IC50 | = | 7580.0 | nM | 5.12 | Cytotoxicity against human HepG2 cells assessed as inhibition of cell proliferat... | 25936258 |
| A549 | IC50 | = | 7700.0 | nM | 5.11 | Cytotoxicity against human A549 cells assessed as inhibition of cell proliferati... | 25936258 |
| HUVEC | IC50 | = | 9220.0 | nM | 5.04 | Cytotoxicity against HUVEC assessed as inhibition of cell proliferation rate aft... | 25936258 |
| Methionine aminopeptidase 1 | IC50 | = | 41000.0 | nM | 4.39 | Inhibition of human MetAP1 | 20621724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25936258 | 10.1016/j.bmc.2015.03.085 | HUVEC | 4 |
| 16420038 | 10.1021/jm050476z | Methionine aminopeptidase | 2 |
| 20621724 | 10.1016/j.bmcl.2010.05.093 | Unchecked | 2 |
| 20621724 | 10.1016/j.bmcl.2010.05.093 | Methionine aminopeptidase 1 | 2 |
| 20621724 | 10.1016/j.bmcl.2010.05.093 | Methionine aminopeptidase 2 | 1 |
| 25936258 | 10.1016/j.bmc.2015.03.085 | HCT-116 | 1 |
| 25936258 | 10.1016/j.bmc.2015.03.085 | HepG2 | 1 |
| 25936258 | 10.1016/j.bmc.2015.03.085 | A549 | 1 |
| 25936258 | 10.1016/j.bmc.2015.03.085 | Thoracic aorta | 1 |
| 25936258 | 10.1016/j.bmc.2015.03.085 | Unchecked | 1 |
| 25936258 | 10.1016/j.bmc.2015.03.085 | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine