Compound Detail
CHEMBL1270156
TANOGITRAN 🧪 Phase II
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🧪 Phase II
Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc([C@@](C)(NCC(=O)O)C(=O)N3CCCC3)ccc21
Basic Information
| ChEMBL ID | CHEMBL1270156 |
| Name | TANOGITRAN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | MAOALPSHCIBFJZ-RUZDIDTESA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
4
Known Names
Molecular Properties
477.6
MW (Da)
1.98
ALogP
7
HBA
5
HBD
149.4
PSA (Ų)
0.23
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 2 meas. best 8.57
Ki 2 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 8.57 | 8.57 | 2.7 | 1 |
| Coagulation factor X CHEMBL244 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| Prothrombin CHEMBL204 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 2.7 | nM | 8.57 | Inhibition of factor-10a (unknown origin) | 24175584 |
| Prothrombin | Ki | = | 2.7 | nM | 8.57 | Inhibition of thrombin | 20503967 |
| Prothrombin | IC50 | = | 26.0 | nM | 7.58 | Inhibition of thrombin (unknown origin) | 24175584 |
| Coagulation factor X | Ki | = | 26.0 | nM | 7.58 | Inhibition of factor 10a | 20503967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20503967 | 10.1021/jm100146h | Prothrombin | 1 |
| 20503967 | 10.1021/jm100146h | Coagulation factor X | 1 |
| 24175584 | 10.1021/jm4005835 | Coagulation factor X | 1 |
| 24175584 | 10.1021/jm4005835 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine