Compound Detail
CHEMBL2074712
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CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc([C@@](O)(CC)C(=O)O)c(CO)c(=O)n1C2
Basic Information
| ChEMBL ID | CHEMBL2074712 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCYPPLWVDXGNOW-XIFFEERXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
604.7
MW (Da)
3.61
ALogP
9
HBA
3
HBD
145.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 2 CHEMBL2073676 | Ki | 4.01 | 4.01 | 96600.0 | 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 | = | 96600.0 | nM | 4.01 | 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 |
| 12817897 | 10.1023/a:1023847521767 | ATP-dependent translocase ABCB1 | 1 |
| 10101137 | - | Multidrug resistance protein 1a | 1 |
Data from ChEMBL 36 via Core Engine