Compound Detail
CHEMBL1784718
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Basic Information
| ChEMBL ID | CHEMBL1784718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQYSTSIAUDPRJH-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
230.2
MW (Da)
2.46
ALogP
2
HBA
0
HBD
53.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.35
Kd 2 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Kd | 5.74 | 5.74 | 1819.7 | 2 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| T-24 CHEMBL614774 | IC50 | 4.88 | 4.88 | 13300.0 | 1 |
| WI-38 CHEMBL614391 | IC50 | 4.66 | 4.66 | 21700.0 | 1 |
| BXPC-3 CHEMBL614530 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Kd | = | 1819.7 | nM | 5.74 | Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia c... | 23220642 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Kd | = | 1830.0 | nM | 5.74 | Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia c... | 23220642 |
| Fibroblast growth factor receptor 1 | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA | 21517068 |
| T-24 | IC50 | = | 13300.0 | nM | 4.88 | Antiproliferative activity against human T24 cells expressing FGFR after 72 hrs ... | 21517068 |
| WI-38 | IC50 | = | 21700.0 | nM | 4.66 | Antiproliferative activity against human WI38 cells expressing FGFR after 72 hrs... | 21517068 |
| BXPC-3 | IC50 | = | 25000.0 | nM | 4.6 | Antiproliferative activity against human BxPC3 cells expressing FGFR after 72 hr... | 21517068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23220642 | 10.1016/j.ejmech.2012.10.050 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 2 |
| 21517068 | 10.1021/jm200258t | Fibroblast growth factor receptor 1 | 1 |
| 21517068 | 10.1021/jm200258t | T-24 | 1 |
| 21517068 | 10.1021/jm200258t | WI-38 | 1 |
| 21517068 | 10.1021/jm200258t | BXPC-3 | 1 |
Data from ChEMBL 36 via Core Engine