Compound Detail
CHEMBL1835863
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Basic Information
| ChEMBL ID | CHEMBL1835863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCDZEMSHEVLSFK-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
1.46
ALogP
8
HBA
2
HBD
111.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.96
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MV4-11 CHEMBL613835 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | Ki | 7.68 | 7.68 | 21.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 4.4 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 2.22 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 2.0 | nM | 8.7 | Cytotoxicity against human MV411 cells | 21970471 |
| Receptor-type tyrosine-protein kinase FLT3 | Ki | = | 11.0 | nM | 7.96 | Displacement of [33P]ATP from human recombinant FLT3 domain after 20 mins by sci... | 21970471 |
| Mast/stem cell growth factor receptor Kit | Ki | = | 21.0 | nM | 7.68 | Displacement of [33P]ATP from human recombinant c-KIT domain after 20 mins by sc... | 21970471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21970471 | 10.1021/jm200712h | Unchecked | 13 |
| 21970471 | 10.1021/jm200712h | Rattus norvegicus | 2 |
| 21970471 | 10.1021/jm200712h | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 21970471 | 10.1021/jm200712h | Mast/stem cell growth factor receptor Kit | 1 |
| 21970471 | 10.1021/jm200712h | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine