Compound Detail
CHEMBL1630578
TIRILAZAD 🧪 Phase III
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🧪 Phase III
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1
Basic Information
| ChEMBL ID | CHEMBL1630578 |
| Name | TIRILAZAD |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | RBKASMJPSJDQKY-RBFSKHHSSA-N |
14
Targets
26
Activities
3
Assay Types
0
PK Parameters
20
Publications
3
Known Names
1
Indications
1
Mechanisms
Molecular Properties
624.9
MW (Da)
5.46
ALogP
8
HBA
0
HBD
72.9
PSA (Ų)
0.39
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Lipid peroxidation inhibitor | - | - | ✓ | ✓ |
Indications
Spinal Cord Injuries
ATC Classification
N07XX01
tirilazad
Level 1: NERVOUS SYSTEM
Level 2: OTHER NERVOUS SYSTEM DRUGS
Activity Summary
IC50 16 meas. best 6.14
Ki 9 meas. best 6.42
EC50 1 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.42 | 6.42 | 376.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.24 | 6.24 | 572.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.14 | 6.14 | 718.0 | 1 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | IC50 | 5.95 | 5.95 | 1116.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 5.94 | 5.94 | 1148.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.91 | 5.7167 | 1219.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 5.87 | 5.68 | 1359.0 | 3 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 5.7 | 5.7 | 2002.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.13 | 5.13 | 7406.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | IC50 | 5.1 | 5.1 | 7898.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 4.93 | 4.93 | 11777.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 4.86 | 4.86 | 13884.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | IC50 | 4.85 | 4.85 | 14120.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 4.81 | 4.81 | 15578.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 4.8 | 4.8 | 15786.0 | 1 |
| Mitogen-activated protein kinase 3 CHEMBL3385 | IC50 | 4.79 | 4.79 | 16262.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.75 | 4.75 | 18000.0 | 2 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 4.73 | 4.73 | 18507.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.69 | 4.69 | 20397.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 4.64 | 4.64 | 22659.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine