Compound Detail
CHEMBL3810303
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 | CHEMBL3810303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCHHWOYUIPSLJH-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
2.29
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 5 meas. best 5.28
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 9 CHEMBL3108640 | Kd | 5.28 | 5.28 | 5300.0 | 1 |
| Peregrin CHEMBL3132741 | Kd | 4.82 | 4.82 | 15000.0 | 2 |
| CREB-binding protein CHEMBL5747 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| CREB-binding protein CHEMBL5747 | Kd | 4.7 | 4.7 | 20000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 9 | Kd | = | 5300.0 | nM | 5.28 | Competitive binding affinity to BRD9 bromodomain (unknown origin) measured after... | 26982797 |
| Peregrin | Kd | = | 15000.0 | nM | 4.82 | Competitive binding affinity to human His-tagged BRPF1b (626 to 740 residues) ex... | 26982797 |
| Peregrin | Kd | = | 15000.0 | nM | 4.82 | Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia ... | 27167503 |
| CREB-binding protein | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of CREBBP (unknown origin) by TR-FRET assay | 38628791 |
| CREB-binding protein | Kd | = | 20000.0 | nM | 4.7 | Competitive binding affinity to human His-tagged CREBBP (1081 to 1097 residues) ... | 26982797 |
| CREB-binding protein | Kd | = | 20000.0 | nM | 4.7 | Competitive binding affinity to CBP (unknown origin) measured after 1 hr by BROM... | 26982797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26982797 | 10.1021/acs.jmedchem.5b01757 | CREB-binding protein | 4 |
| 26982797 | 10.1021/acs.jmedchem.5b01757 | Bromodomain-containing protein 9 | 2 |
| 26982797 | 10.1021/acs.jmedchem.5b01757 | Bromodomain adjacent to zinc finger domain protein 2B | 1 |
| 26982797 | 10.1021/acs.jmedchem.5b01757 | Histone acetyltransferase p300 | 1 |
| 26982797 | 10.1021/acs.jmedchem.5b01757 | Bromodomain-containing protein 4 | 1 |
| 26982797 | 10.1021/acs.jmedchem.5b01757 | Peregrin | 1 |
| 27167503 | 10.1021/acs.jmedchem.6b00215 | Peregrin | 1 |
| 38628791 | 10.1021/acsmedchemlett.4c00093 | CREB-binding protein | 1 |
Data from ChEMBL 36 via Core Engine