Compound Detail
CHEMBL1704366
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Basic Information
| ChEMBL ID | CHEMBL1704366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CESPGAJIWKLGLW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
460.9
MW (Da)
4.67
ALogP
5
HBA
1
HBD
84.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ras and Rab interactor 1/Tyrosine-protein kinase ABL1 CHEMBL3885630 | IC50 | 5.73 | 5.73 | 1863.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ras and Rab interactor 1/Tyrosine-protein kinase ABL1 | IC50 | = | 1863.0 | nM | 5.73 | PUBCHEM_BIOASSAY: TRFRET-based biochemical high throughput dose response assay f... | - |
Data from ChEMBL 36 via Core Engine