Compound Detail
CHEMBL1829287
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Basic Information
| ChEMBL ID | CHEMBL1829287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORQGOQOBGREYTA-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
5.14
ALogP
6
HBA
0
HBD
49.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 6.09 | 6.09 | 810.0 | 1 |
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 6.03 | 6.03 | 930.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.87 | 4.87 | 13570.0 | 1 |
| BGC-823 CHEMBL614526 | IC50 | 4.73 | 4.73 | 18570.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.62 | 4.62 | 24250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 810.0 | nM | 6.09 | Antiproliferative activity against human HepG2 cells after 24 hrs by MTT assay | 21925884 |
| Methionine aminopeptidase 2 | IC50 | = | 930.0 | nM | 6.03 | Inhibition of MetAP2 after 4 hrs | 21925884 |
| NON-PROTEIN TARGET | IC50 | = | 13570.0 | nM | 4.87 | Antiproliferative activity against human SW1116 cells after 24 hrs by MTT assay | 21925884 |
| BGC-823 | IC50 | = | 18570.0 | nM | 4.73 | Antiproliferative activity against human BGC823 cells after 24 hrs by MTT assay | 21925884 |
| HeLa | IC50 | = | 24250.0 | nM | 4.62 | Antiproliferative activity against human HeLa cells after 24 hrs by MTT assay | 21925884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21925884 | 10.1016/j.bmc.2011.08.063 | HepG2 | 18 |
| 21925884 | 10.1016/j.bmc.2011.08.063 | Methionine aminopeptidase 2 | 2 |
| 21925884 | 10.1016/j.bmc.2011.08.063 | HeLa | 1 |
| 21925884 | 10.1016/j.bmc.2011.08.063 | NON-PROTEIN TARGET | 1 |
| 21925884 | 10.1016/j.bmc.2011.08.063 | BGC-823 | 1 |
Data from ChEMBL 36 via Core Engine