Compound Detail
CHEMBL35354
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Basic Information
| ChEMBL ID | CHEMBL35354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJWHHQIVUHOBQN-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
2
Known Names
Molecular Properties
329.8
MW (Da)
3.93
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.14
IC50 2 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 9.14 | 8.92 | 0.7 | 2 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.47 | 6.47 | 336.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | EC50 | = | 0.73 | nM | 9.14 | Agonist activity at human dopamine D1 receptor expressed in CHOK1 cells assessed... | 29939744 |
| D(1A) dopamine receptor | EC50 | = | 2.0 | nM | 8.7 | Agonist activity at human dopamine D1 receptor expressed in CHOK1 cells assessed... | 29939744 |
| D(1A) dopamine receptor | IC50 | = | 5.1 | nM | 8.29 | Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude memb... | 1533424 |
| D(2) dopamine receptor | IC50 | = | 336.0 | nM | 6.47 | Displacement of [3H]YM-09151-2 (60 pm) from dopamine receptor D2 in crude membra... | 1533424 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29939744 | 10.1021/acs.jmedchem.8b00435 | D(1A) dopamine receptor | 4 |
| 31532644 | 10.1021/acs.jmedchem.9b01234 | Mus musculus | 2 |
| 1533424 | 10.1021/jm00086a016 | D(1A) dopamine receptor | 1 |
| 1533424 | 10.1021/jm00086a016 | D(2) dopamine receptor | 1 |
| 1533424 | 10.1021/jm00086a016 | Dopamine receptors; D1 & D2 | 1 |
Data from ChEMBL 36 via Core Engine