Compound Detail
CHEMBL1369512
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Basic Information
| ChEMBL ID | CHEMBL1369512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRYDTMPYVQXREL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
3.26
ALogP
2
HBA
3
HBD
70.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ras and Rab interactor 1/Tyrosine-protein kinase ABL1 CHEMBL3885630 | IC50 | 6.97 | 6.97 | 106.2 | 1 |
| Photoreceptor-specific nuclear receptor CHEMBL4374 | IC50 | 5.41 | 5.41 | 3852.0 | 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 | = | 106.16 | nM | 6.97 | PUBCHEM_BIOASSAY: TRFRET-based biochemical high throughput dose response assay f... | - |
| Photoreceptor-specific nuclear receptor | IC50 | = | 3852.0 | nM | 5.41 | PUBCHEM_BIOASSAY: TR-FRET-based biochemical high throughput dose response assay ... | - |
Data from ChEMBL 36 via Core Engine