Compound Detail
CHEMBL258605
GLYCODEOXYCHOLATE Enter ChEMBL ID:
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C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Basic Information
| ChEMBL ID | CHEMBL258605 |
| Name | GLYCODEOXYCHOLATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVULKSPCQVQLCU-BUXLTGKBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
3.59
ALogP
4
HBA
4
HBD
106.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 CHEMBL5409 | EC50 | 5.93 | 5.93 | 1180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 | EC50 | = | 1180.0 | nM | 5.93 | Agonist activity at human TGR5 expressed in CHO cells by luciferase assay | 18307294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20713311 | 10.1016/j.bmc.2010.07.030 | ADMET | 4 |
| 18307294 | 10.1021/jm7015864 | G-protein coupled bile acid receptor 1 | 2 |
| 11093941 | 10.1152/ajpgi.2000.279.6.g1188 | Solute carrier organic anion transporter family member 1A5 | 2 |
| 8045503 | 10.1016/0270-9139(94)90194-5 | Solute carrier organic anion transporter family member 1A1 | 2 |
| 11093941 | 10.1152/ajpgi.2000.279.6.g1188 | Ileal sodium/bile acid cotransporter | 1 |
| 9458785 | 10.1152/ajpgi.1998.274.1.g157 | Ileal sodium/bile acid cotransporter | 1 |
| 22541068 | 10.1021/jm300212s | Solute carrier organic anion transporter family member 2B1 | 1 |
| 22541068 | 10.1021/jm300212s | Solute carrier organic anion transporter family member 1B3 | 1 |
| 22541068 | 10.1021/jm300212s | Solute carrier organic anion transporter family member 1B1 | 1 |
Data from ChEMBL 36 via Core Engine