TIRILAZAD

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N07XX01
UNII: YD064E883I

Structure
InChI Key RBKASMJPSJDQKY-RUBPLPFUSA-N
Smile CC1C[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
InChI
InChI=1S/C38H52N6O2/c1-26-22-31-29-9-8-27-23-28(45)10-12-37(27,2)30(29)11-13-38(31,3)35(26)32(46)25-41-18-20-43(21-19-41)34-24-33(42-14-4-5-15-42)39-36(40-34)44-16-6-7-17-44/h10-12,23-24,26,29,31,35H,4-9,13-22,25H2,1-3H3/t26?,29-,31+,35-,37+,38+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C38H52N6O2
Molecular Weight 624.87
AlogP 5.46
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 72.88
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 46.0

Pharmacology

Action Mechanism of Action Reference
None Lipid peroxidation inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase ERK subfamily
- 16262 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily
- 7406 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 20397 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 1116 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 22659 - 1148 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 14120 - 13884 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 18507 - 11777 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Spinal Cord Injuries 3 D013119 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 110101-66-1
ChEBI 135853
ChEMBL CHEMBL1630578
DrugBank DB13050
DrugCentral 4063
FDA SRS YD064E883I
PubChem 104903
SureChEMBL SCHEMBL483318
ZINC ZINC000043133316
CONTENTS