Compound Detail
CHEMBL4864193
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Basic Information
| ChEMBL ID | CHEMBL4864193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHKREPOFPNSZAL-UHFFFAOYSA-N |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
472.3
MW (Da)
5.96
ALogP
5
HBA
1
HBD
62.9
PSA (Ų)
0.40
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.96
Kd 1 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-266 CHEMBL2366315 | IC50 | 5.96 | 5.96 | 1110.0 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 5.96 | 5.96 | 1090.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.18 | 5.18 | 6600.0 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 5.15 | 5.15 | 7020.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.06 | 5.06 | 8680.0 | 1 |
| DEP domain-containing mTOR-interacting protein CHEMBL4105866 | Kd | 5.03 | 5.03 | 9300.0 | 1 |
| DLD-1 CHEMBL614285 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RPMI-8226 | IC50 | = | 1090.0 | nM | 5.96 | Antiproliferative activity against human RPMI-8226 cells assessed as inhibition ... | 34644502 |
| U-266 | IC50 | = | 1110.0 | nM | 5.96 | Antiproliferative activity against human U266 cells assessed as inhibition of ce... | 34644502 |
| HL-60 | IC50 | = | 6600.0 | nM | 5.18 | Antiproliferative activity against human HL-60 cells assessed as inhibition of c... | 34644502 |
| MOLT-4 | IC50 | = | 7020.0 | nM | 5.15 | Antiproliferative activity against human MOLT-4 cells assessed as inhibition of ... | 34644502 |
| MCF7 | IC50 | = | 8680.0 | nM | 5.06 | Antiproliferative activity against human MCF7 cells assessed as inhibition of ce... | 34644502 |
| DEP domain-containing mTOR-interacting protein | Kd | = | 9300.0 | nM | 5.03 | Binding affinity to fluorescent labelled DEPTOR (unknown origin) incubated for 1... | 34644502 |
| DLD-1 | IC50 | = | 10000.0 | nM | 5.0 | Antiproliferative activity against human DLD1 cells assessed as inhibition of ce... | 34644502 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34644502 | 10.1021/acs.jmedchem.1c00087 | RPMI-8226 | 25 |
| 34644502 | 10.1021/acs.jmedchem.1c00087 | DEP domain-containing mTOR-interacting protein | 3 |
| 34644502 | 10.1021/acs.jmedchem.1c00087 | Unchecked | 2 |
| 34644502 | 10.1021/acs.jmedchem.1c00087 | NCI-H460 | 1 |
| 34644502 | 10.1021/acs.jmedchem.1c00087 | SiHa | 1 |
| 34644502 | 10.1021/acs.jmedchem.1c00087 | U-266 | 1 |
| 34644502 | 10.1021/acs.jmedchem.1c00087 | MOLT-4 | 1 |
| 34644502 | 10.1021/acs.jmedchem.1c00087 | HL-60 | 1 |
| 34644502 | 10.1021/acs.jmedchem.1c00087 | MCF7 | 1 |
| 34644502 | 10.1021/acs.jmedchem.1c00087 | ADMET | 1 |
| 34644502 | 10.1021/acs.jmedchem.1c00087 | MGC-803 | 1 |
| 34644502 | 10.1021/acs.jmedchem.1c00087 | HepG2 | 1 |
| 34644502 | 10.1021/acs.jmedchem.1c00087 | U2OS | 1 |
| 34644502 | 10.1021/acs.jmedchem.1c00087 | DLD-1 | 1 |
| 34644502 | 10.1021/acs.jmedchem.1c00087 | U-251 | 1 |
Data from ChEMBL 36 via Core Engine