Compound Detail
CHEMBL4213004
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Basic Information
| ChEMBL ID | CHEMBL4213004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMIYTUHCNXXODK-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
2.78
ALogP
5
HBA
3
HBD
117.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| COR-L23 CHEMBL613854 | IC50 | 8.51 | 7.6633 | 3.1 | 3 |
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| A2780 CHEMBL614004 | IC50 | 8.15 | 7.7667 | 7.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| COR-L23 | IC50 | = | 3.1 | nM | 8.51 | Antiproliferative activity against human COR-L23 cells incubated for 72 hrs by C... | 31749905 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 4.3 | nM | 8.37 | Inhibition of full length recombinant C-terminal His8-tagged human NAMPT using 1... | 29275937 |
| A2780 | IC50 | = | 7.0 | nM | 8.15 | Antiproliferative activity against human A2780 cells after 4 days by CellTiter-G... | 29275937 |
| A2780 | IC50 | = | 7.0 | nM | 8.15 | Antiproliferative activity against human A2780 cells assessed as inhibition of c... | 37413882 |
| COR-L23 | IC50 | = | 57.0 | nM | 7.24 | Antiproliferative activity against human COR-L23 cells after 4 days by CellTiter... | 29275937 |
| COR-L23 | IC50 | = | 57.0 | nM | 7.24 | Antiproliferative activity against human COR-L23 cells assessed as reduction in ... | 37413882 |
| A2780 | IC50 | = | 100.0 | nM | 7.0 | Antiproliferative activity against human A2780 cells incubated for 72 hrs by Cel... | 31749905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29275937 | 10.1016/j.bmcl.2017.12.037 | A2780 | 2 |
| 29275937 | 10.1016/j.bmcl.2017.12.037 | COR-L23 | 1 |
| 29275937 | 10.1016/j.bmcl.2017.12.037 | No relevant target | 1 |
| 29275937 | 10.1016/j.bmcl.2017.12.037 | Nicotinamide phosphoribosyltransferase | 1 |
| 31749905 | 10.1021/acsmedchemlett.9b00325 | COR-L23 | 1 |
| 31749905 | 10.1021/acsmedchemlett.9b00325 | A2780 | 1 |
| 37413882 | 10.1016/j.ejmech.2023.115607 | COR-L23 | 1 |
| 37413882 | 10.1016/j.ejmech.2023.115607 | A2780 | 1 |
Data from ChEMBL 36 via Core Engine