Compound Detail
CHEMBL538023
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Cl.O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(N/C(S)=N\c3ccc(C4CNCCc5cc(O)c(O)cc54)cc3)cc21
Basic Information
| ChEMBL ID | CHEMBL538023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOYJVDDLRXNYFJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1189085 |
| Active Moiety | CHEMBL1189085 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
659.7
MW (Da)
6.38
ALogP
9
HBA
7
HBD
152.9
PSA (Ų)
0.04
QED
3
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 10000.0 | nM | 5.0 | Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radiol... | 1956042 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1956042 | 10.1021/jm00115a012 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine