Compound Detail
CHEMBL5197555
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Basic Information
| ChEMBL ID | CHEMBL5197555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRDWMCYHLUVDDX-MDZDMXLPSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
2.50
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H460 CHEMBL396 | IC50 | 5.24 | 5.24 | 5780.0 | 1 |
| B16-F10 CHEMBL612656 | IC50 | 5.18 | 5.18 | 6640.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.12 | 5.12 | 7630.0 | 1 |
| HeLa 229 CHEMBL4483246 | IC50 | 4.84 | 4.84 | 14600.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 4.57 | 4.57 | 26650.0 | 1 |
| L02 CHEMBL4296457 | IC50 | 4.27 | 4.27 | 53660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | IC50 | = | 5780.0 | nM | 5.24 | Antiproliferative activity against human NCI-H460 cells after 72 hrs by MTT assa... | 34998058 |
| B16-F10 | IC50 | = | 6640.0 | nM | 5.18 | Antiproliferative activity against mouse B16-F10 cells after 72 hrs by MTT assay | 34998058 |
| HCT-116 | IC50 | = | 7630.0 | nM | 5.12 | Antiproliferative activity against human HCT-116 cells after 72 hrs by MTT assay | 34998058 |
| HeLa 229 | IC50 | = | 14600.0 | nM | 4.84 | Antiproliferative activity against human HeLa 229 cells after 72 hrs by MTT assa... | 34998058 |
| Fibroblast growth factor receptor 1 | IC50 | = | 26650.0 | nM | 4.57 | Inhibition of FGFR1 (unknown origin) using ULight-JAK-1 (Tyr1023) peptide as sub... | 34998058 |
| L02 | IC50 | = | 53660.0 | nM | 4.27 | Antiproliferative activity against human HL7702 cells after 72 hrs by MTT assay | 34998058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34998058 | 10.1016/j.ejmech.2021.114085 | Fibroblast growth factor receptor 1 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Fibroblast growth factor receptor 2 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Fibroblast growth factor receptor 3 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Platelet-derived growth factor receptor beta | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Epidermal growth factor receptor | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | HeLa 229 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | NCI-H460 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | HCT-116 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | B16-F10 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | L02 | 1 |
Data from ChEMBL 36 via Core Engine