Compound Detail
CHEMBL4576271
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Basic Information
| ChEMBL ID | CHEMBL4576271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMOIUJWJHFFEMG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
2.18
ALogP
9
HBA
2
HBD
118.3
PSA (Ų)
0.30
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 6.53 | 6.53 | 296.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 296.3 | nM | 6.53 | Antiproliferative activity against human HCT116 cells after 72 hrs by MTT assay | 30629434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30629434 | 10.1021/acs.jmedchem.8b01825 | MCF7 | 1 |
| 30629434 | 10.1021/acs.jmedchem.8b01825 | MM1.S | 1 |
| 30629434 | 10.1021/acs.jmedchem.8b01825 | HCT-116 | 1 |
| 30629434 | 10.1021/acs.jmedchem.8b01825 | Raji | 1 |
| 30629434 | 10.1021/acs.jmedchem.8b01825 | PI3-kinase p110-alpha/p85-alpha | 1 |
| 30629434 | 10.1021/acs.jmedchem.8b01825 | Serine/threonine-protein kinase mTOR | 1 |
Data from ChEMBL 36 via Core Engine