Compound Detail
CHEMBL3962195
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3962195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXLRLXCTHVMJJM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
303.2
MW (Da)
2.94
ALogP
6
HBA
2
HBD
135.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 CHEMBL4681 | Ki | 6.42 | 6.42 | 380.0 | 1 |
| Aldo-keto reductase family 1 member C2 CHEMBL5847 | Ki | 5.88 | 5.88 | 1320.0 | 1 |
| Aldo-keto reductase family 1 member C1 CHEMBL5905 | Ki | 5.58 | 5.58 | 2660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 | Ki | = | 380.0 | nM | 6.42 | Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversi... | - |
| Aldo-keto reductase family 1 member C2 | Ki | = | 1320.0 | nM | 5.88 | Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversi... | - |
| Aldo-keto reductase family 1 member C1 | Ki | = | 2660.0 | nM | 5.58 | Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversi... | - |
Data from ChEMBL 36 via Core Engine