Compound Detail
CHEMBL4469377
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Basic Information
| ChEMBL ID | CHEMBL4469377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVBTTYDAUQOZQB-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
2.93
ALogP
9
HBA
4
HBD
146.5
PSA (Ų)
0.17
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MV4-11 CHEMBL613835 | IC50 | 7.98 | 7.98 | 10.4 | 1 |
| MM1.S CHEMBL4296471 | IC50 | 7.93 | 7.93 | 11.8 | 1 |
| OCI-AML-3 CHEMBL4296479 | IC50 | 7.79 | 7.79 | 16.3 | 1 |
| OCI-AML2 CHEMBL2366220 | IC50 | 7.74 | 7.74 | 18.4 | 1 |
| Raji CHEMBL614628 | IC50 | 7.71 | 7.71 | 19.7 | 1 |
| HCT-116 CHEMBL394 | IC50 | 7.21 | 7.21 | 61.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 10.38 | nM | 7.98 | Antiproliferative activity against human MV4-11 cells after 72 hrs by MTT assay | 30629434 |
| MM1.S | IC50 | = | 11.8 | nM | 7.93 | Antiproliferative activity against human MM1S cells after 72 hrs by MTT assay | 30629434 |
| OCI-AML-3 | IC50 | = | 16.32 | nM | 7.79 | Antiproliferative activity against human OCI-AML3 cells after 72 hrs by MTT assa... | 30629434 |
| OCI-AML2 | IC50 | = | 18.41 | nM | 7.74 | Antiproliferative activity against human OCI-AML2 cells after 72 hrs by MTT assa... | 30629434 |
| Raji | IC50 | = | 19.7 | nM | 7.71 | Antiproliferative activity against human Raji cells after 72 hrs by MTT assay | 30629434 |
| HCT-116 | IC50 | = | 61.9 | nM | 7.21 | 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 | OCI-AML-3 | 1 |
| 30629434 | 10.1021/acs.jmedchem.8b01825 | OCI-AML2 | 1 |
| 30629434 | 10.1021/acs.jmedchem.8b01825 | MV4-11 | 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 |
Data from ChEMBL 36 via Core Engine