Compound Detail
CHEMBL4207983
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CC(C)n1c2ccc(Oc3ncccn3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3
Basic Information
| ChEMBL ID | CHEMBL4207983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCRBQBQLMPBGQC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
4.70
ALogP
7
HBA
1
HBD
86.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein delta homolog 1 CHEMBL5671 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein delta homolog 1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of DLK (unknown origin) using myelin basic protein as substrate prein... | 29863360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29863360 | 10.1021/acs.jmedchem.8b00370 | Protein delta homolog 1 | 1 |
Data from ChEMBL 36 via Core Engine