Compound Detail
CHEMBL2369949
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CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]2C[C@H](OC(=O)[C@@H](N)CCCNC(=N)N)CN2C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2369949 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | OLPPPMHETREUNY-ATANYJJVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
782.9
MW (Da)
-1.06
ALogP
10
HBA
10
HBD
304.0
PSA (Ų)
0.05
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 2 CHEMBL2073676 | Ki | 6.0 | 6.0 | 1010.0 | 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 | = | 1010.0 | nM | 6.0 | TP_TRANSPORTER: inhibition of BQ-123 uptake in bile canalicular membrane vesicle... | 9918561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9918561 | - | ATP-binding cassette sub-family C member 2 | 1 |
Data from ChEMBL 36 via Core Engine