Compound Detail
CHEMBL34124
OLODANRIGAN 🧪 Phase II
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🧪 Phase II
COc1ccc2c(c1OCc1ccccc1)C[C@@H](C(=O)O)N(C(=O)C(c1ccccc1)c1ccccc1)C2
Basic Information
| ChEMBL ID | CHEMBL34124 |
| Name | OLODANRIGAN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | GHBCIXGRCZIPNQ-MHZLTWQESA-N |
3
Targets
6
Activities
2
Assay Types
3
PK Parameters
20
Publications
4
Known Names
2
Indications
1
Mechanisms
Molecular Properties
507.6
MW (Da)
5.44
ALogP
4
HBA
1
HBD
76.1
PSA (Ų)
0.34
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Angiotensin II type 2 (AT-2) receptor antagonist | ANTAGONIST | Type-2 angiotensin II receptor | ✓ | ✓ |
Indications
Diabetic Neuropathies Neuralgia, Postherpetic
Activity Summary
IC50 4 meas. best 9.24
Ki 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 9.24 | 9.23 | 0.6 | 2 |
| Unchecked CHEMBL612545 | IC50 | 9.24 | 9.24 | 0.6 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | Ki | 7.4 | 7.4 | 39.5 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.39 | 6.39 | 409.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.55 | hr | Homo sapiens |
| T1/2 | 1.5 | hr | Mus musculus |
| T1/2 | 0.6333 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | IC50 | = | 0.58 | nM | 9.24 | In vitro binding affinity of compound was measured against angiotensin II (AT2) ... | - |
| Unchecked | IC50 | = | 0.58 | nM | 9.24 | Displacement of [125I]-Ang II from rabbit uterine membrane AT2R incubated for 3 ... | 32966895 |
| Type-2 angiotensin II receptor | IC50 | = | 0.6 | nM | 9.22 | Inhibitory activity was evaluated against Angiotensin II receptor, type 2 | 8576904 |
| Type-1 angiotensin II receptor | IC50 | = | 39.0 | nM | 7.41 | Inhibition of human AT1 receptor | 32030982 |
| Type-2 angiotensin II receptor | Ki | = | 39.5 | nM | 7.4 | Binding affinity to type-2 angiotensin-2 receptor (unknown origin) | 26810314 |
| Unchecked | Ki | = | 409.0 | nM | 6.39 | Displacement of 125I-[Sar1,Leu8] angiotensin-2 from rat type 1 angiotensin-2 rec... | 26810314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724801 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5724801 | U2OS | 304 |
| - | 10.6019/CHEMBL5058577 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5724801 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5058577 | U2OS | 304 |
| - | 10.6019/CHEMBL5058577 | HEK-293T | 304 |
| 33309749 | 10.1016/j.bmc.2020.115859 | ADMET | 5 |
| - | 10.6019/CHEMBL5058564 | HEK-293T | 5 |
| - | 10.6019/CHEMBL5058564 | Fibroblast | 4 |
| - | 10.6019/CHEMBL5058564 | U2OS | 3 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL5209801 | G-protein coupled receptor 35 | 2 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 2 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 2 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine