Compound Detail
CHEMBL1307972
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Basic Information
| ChEMBL ID | CHEMBL1307972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUJNAXQVFZTBDR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
403.3
MW (Da)
6.38
ALogP
2
HBA
2
HBD
33.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.86 | 5.86 | 1386.0 | 1 |
| Nuclear receptor coactivator 1 CHEMBL1615387 | IC50 | 5.37 | 5.37 | 4256.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 5.17 | 5.17 | 6687.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA damage-inducible transcript 3 protein | IC50 | = | 330.0 | nM | 6.48 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 1386.0 | nM | 5.86 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Nuclear receptor coactivator 1 | IC50 | = | 4256.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Tegument protein VP16 | IC50 | = | 6687.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
Data from ChEMBL 36 via Core Engine