TIRASEMTIV

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: G8WSM7R635

Structure
InChI Key RSQGZEAXODVTOL-UHFFFAOYSA-N
Smile C#Cc1cnc2nc(O)n(C(CC)CC)c2n1
InChI
InChI=1S/C12H14N4O/c1-4-8-7-13-10-11(14-8)16(12(17)15-10)9(5-2)6-3/h1,7,9H,5-6H2,2-3H3,(H,13,15,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H14N4O
Molecular Weight 230.27
AlogP 1.87
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 63.83
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
ACTIVATOR Fast skeletal troponin complex activator PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 20000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Amyotrophic Lateral Sclerosis 3 D000690 ClinicalTrials
Myasthenia Gravis 2 D009157 ClinicalTrials
Intermittent Claudication 2 D007383 ClinicalTrials
Peripheral Arterial Disease 2 D058729 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1005491-05-3
ChEMBL CHEMBL3039529
DrugBank DB12209
EPA CompTox DTXSID90143379
FDA SRS G8WSM7R635
Guide to Pharmacology 8280
PDB W97
PubChem 23729157
SureChEMBL SCHEMBL976988
ZINC ZINC000095627912
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