Compound Detail
CHEMBL4284596
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Basic Information
| ChEMBL ID | CHEMBL4284596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQIAKXUZNSTYRL-VXGBXAGGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
3.35
ALogP
6
HBA
2
HBD
75.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1566.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1566.0 | nM | 5.8 | Inhibition of full length C-terminal His8 tagged IDH1 R132H mutant (1 to 414 res... | 32071674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32071674 | 10.1021/acsmedchemlett.9b00509 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine