Details of the Drug

General Information of Drug (ID: DM5TC43)

Drug Name
AR-12286
Synonyms AR-11236; AR-12080; AR-12132; CF-286-03; CF-286-04
Indication
Disease Entry ICD 11 Status REF
Glaucoma/ocular hypertension 9C61 Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 327.4
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H17N3O2S
IUPAC Name
2-(dimethylamino)-N-(1-oxo-2H-isoquinolin-6-yl)-2-thiophen-3-ylacetamide
Canonical SMILES
CN(C)C(C1=CSC=C1)C(=O)NC2=CC3=C(C=C2)C(=O)NC=C3
InChI
InChI=1S/C17H17N3O2S/c1-20(2)15(12-6-8-23-10-12)17(22)19-13-3-4-14-11(9-13)5-7-18-16(14)21/h3-10,15H,1-2H3,(H,18,21)(H,19,22)
InChIKey
VDYRZXYYQMMFJW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
66906051
ChEBI ID
CHEMBL3545065
CAS Number
1414854-42-4
TTD ID
D07EJY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Rho-associated protein kinase (ROCK) TTMQO60 NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01699464) A Study Assessing the Safety and Ocular Hypotensive Efficacy of AR-12286 in Patients With Elevated Intraocular Pressure for 3 Months. U.S. National Institutes of Health.
2 Ocular hypotensive effect of the Rho kinase inhibitor AR-12286 in patients with glaucoma and ocular hypertension. Am J Ophthalmol. 2011 Nov;152(5):834-41.e1.