Compound Detail
CHEMBL1160785
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Basic Information
| ChEMBL ID | CHEMBL1160785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIVQKHQLANKJQO-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
167.2
MW (Da)
0.90
ALogP
3
HBA
2
HBD
55.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 4.06
EC50 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trace amine-associated receptor 1 CHEMBL5857 | EC50 | 6.51 | 6.51 | 308.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Kd | 4.06 | 4.045 | 88000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trace amine-associated receptor 1 | EC50 | = | 308.0 | nM | 6.51 | Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed a... | 35047111 |
| D(2) dopamine receptor | Kd | = | 88000.0 | nM | 4.06 | In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes. | 10956209 |
| D(2) dopamine receptor | Kd | = | 94000.0 | nM | 4.03 | In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membrane... | 10956209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956209 | 10.1021/jm990526y | D(2) dopamine receptor | 4 |
| 35047111 | 10.1021/acsmedchemlett.1c00527 | Trace amine-associated receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine