Compound Detail
CHEMBL2316499
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Basic Information
| ChEMBL ID | CHEMBL2316499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKXOIHNFHOEPHN-CQSZACIVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
3.15
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | IC50 | 5.94 | 5.94 | 1140.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | IC50 | 5.68 | 5.68 | 2090.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.84 | 4.84 | 14500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 1140.0 | nM | 5.94 | Agonist activity at D2 receptor (unknown origin) transfected in HEK293 cells by ... | 39038276 |
| D(1A) dopamine receptor | IC50 | = | 2090.0 | nM | 5.68 | Agonist activity at D1 receptor (unknown origin) transfected in HEK293 cells by ... | 39038276 |
| Unchecked | IC50 | = | 14500.0 | nM | 4.84 | Inhibition of melanogenesis in mouse B16-4A5 cells after 72 hrs by spectrophotom... | 23270663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23270663 | 10.1016/j.bmc.2012.11.038 | NON-PROTEIN TARGET | 9 |
| 23270663 | 10.1016/j.bmc.2012.11.038 | Unchecked | 6 |
| 23270663 | 10.1016/j.bmc.2012.11.038 | ADMET | 2 |
| 23270663 | 10.1016/j.bmc.2012.11.038 | Tyrosinase | 1 |
| 39038276 | 10.1021/acs.jmedchem.4c00537 | D(1A) dopamine receptor | 1 |
| 39038276 | 10.1021/acs.jmedchem.4c00537 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine