Compound Detail
CHEMBL2074738
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Basic Information
| ChEMBL ID | CHEMBL2074738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKCMLZRPNSABAR-QMMMGPOBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
329.3
MW (Da)
1.18
ALogP
7
HBA
2
HBD
152.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 6 CHEMBL1777665 | Ki | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 6 | Ki | = | 1900.0 | nM | 5.72 | TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytes | 11641438 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11641438 | 10.1124/mol.60.5.1091 | Solute carrier family 22 member 6 | 2 |
| 11856762 | 10.1681/asn.v133595 | ATP-binding cassette sub-family C member 4 | 1 |
Data from ChEMBL 36 via Core Engine