Compound Detail
CHEMBL2074656
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/c2cc(/C=C/C=C(C)/C=C/C3=C(C)CCCC3(C)C)cc[n+]2CCO)C(C)(C)CCC1.[Cl-]
Basic Information
| ChEMBL ID | CHEMBL2074656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQPMPGJOKFUPJS-KFKWWMHDSA-M |
| Parent Compound | CHEMBL2078928 |
| Active Moiety | CHEMBL2078928 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
592.9
MW (Da)
11.00
ALogP
1
HBA
1
HBD
24.1
PSA (Ų)
0.20
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier organic anion transporter family member 1A4 CHEMBL1781860 | Ki | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier organic anion transporter family member 1A4 | Ki | = | 37000.0 | nM | 4.43 | TP_TRANSPORTER: inhibition of Digoxin uptake in Xenopus laevis oocytes | 11818398 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11818398 | - | Solute carrier organic anion transporter family member 1A4 | 1 |
Data from ChEMBL 36 via Core Engine