Compound Detail
CHEMBL2075009
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
CCc1c2c(nc3ccc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc13)-c1cc([C@@](O)(CC)C(=O)O)c(CO)c(=O)n1C2
Basic Information
| ChEMBL ID | CHEMBL2075009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTDOSXMJZIEEDG-CAYKMONMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
586.5
MW (Da)
-0.57
ALogP
12
HBA
7
HBD
229.1
PSA (Ų)
0.14
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 2 CHEMBL2073676 | Ki | 5.99 | 5.99 | 1030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 2 | Ki | = | 1030.0 | nM | 5.99 | TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicle... | 9103511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9103511 | - | ATP-binding cassette sub-family C member 2 | 3 |
Data from ChEMBL 36 via Core Engine