Compound Detail
CHEMBL3775371
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Basic Information
| ChEMBL ID | CHEMBL3775371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAMCWHOXZPKYQG-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
4.81
ALogP
6
HBA
0
HBD
56.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein CHEMBL5747 | Kd | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein | Kd | = | 21.0 | nM | 7.68 | Inhibition of human CREBBP expressed in competent escherichia coli BL21(DE3)-R3-... | 26701186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26701186 | 10.1021/acs.jmedchem.5b01502 | CREB-binding protein | 1 |
Data from ChEMBL 36 via Core Engine