Compound Detail
CHEMBL2270066
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Basic Information
| ChEMBL ID | CHEMBL2270066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXAUTQFAWKKNLM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
175.2
MW (Da)
1.95
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 4 group A member 2 CHEMBL5002 | IC50 | 4.32 | 4.32 | 48000.0 | 2 |
| CREB-binding protein CHEMBL5747 | IC50 | 4.0 | 4.0 | 99000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 4 group A member 2 | IC50 | = | 48000.0 | nM | 4.32 | Inverse agonist activity at Gal4-fused human Nurr1 LBD expressed in HEK293T cell... | 34633810 |
| Nuclear receptor subfamily 4 group A member 2 | IC50 | = | 48000.0 | nM | 4.32 | Inverse agonist activity at Nurr1 (unknown origin) | 35797147 |
| CREB-binding protein | IC50 | = | 99000.0 | nM | 4.0 | Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay | 29155580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11052720 | 10.1021/jf990685q | Cryphonectria parasitica | 4 |
| 25397992 | 10.1021/np500632c | NON-PROTEIN TARGET | 4 |
| 34633810 | 10.1021/acs.jmedchem.1c01077 | Nuclear receptor subfamily 4 group A member 2 | 2 |
| 35797147 | 10.1021/acs.jmedchem.2c00585 | Nuclear receptor subfamily 4 group A member 2 | 2 |
| 29155580 | 10.1021/acs.jmedchem.7b01372 | CREB-binding protein | 2 |
| 25397992 | 10.1021/np500632c | Wickerhamomyces anomalus | 1 |
| 29155580 | 10.1021/acs.jmedchem.7b01372 | Unchecked | 1 |
| 29155580 | 10.1021/acs.jmedchem.7b01372 | Bromodomain-containing protein 4 | 1 |
| 25397992 | 10.1021/np500632c | A549 | 1 |
| 25397992 | 10.1021/np500632c | MCF7 | 1 |
| 25397992 | 10.1021/np500632c | L929 | 1 |
| 25397992 | 10.1021/np500632c | Mucor hiemalis | 1 |
| 25397992 | 10.1021/np500632c | Candida albicans | 1 |
| 25397992 | 10.1021/np500632c | Saccharomyces cerevisiae | 1 |
| 25397992 | 10.1021/np500632c | Pseudomonas aeruginosa | 1 |
| 25397992 | 10.1021/np500632c | Chromobacterium violaceum | 1 |
| 25397992 | 10.1021/np500632c | Escherichia coli | 1 |
| 25397992 | 10.1021/np500632c | Paenibacillus polymyxa | 1 |
| 25397992 | 10.1021/np500632c | Mycolicibacterium diernhoferi | 1 |
| 25397992 | 10.1021/np500632c | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine