Details of the Drug

General Information of Drug (ID: DMXSEHF)

Drug Name
Y-39983
Synonyms RKI-983; SNJ-1656; ROCK inhibitors, Mitsubishi Tanabe Pharma/Senju/Novartis; Rho-associated protein kinase inhibitors, Mitsubishi Tanabe Pharma/Senju/Novartis
Indication
Disease Entry ICD 11 Status REF
Glaucoma/ocular hypertension 9C61 Phase 1/2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 280.32
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H16N4O
IUPAC Name
4-[(1R)-1-aminoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
Canonical SMILES
C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N
InChI
InChI=1S/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)/t10-/m1/s1
InChIKey
JTVBXQAYBIJXRP-SNVBAGLBSA-N
Cross-matching ID
PubChem CID
9810884
ChEBI ID
CHEBI:91412
CAS Number
199433-58-4
TTD ID
D0U9LT
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

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 (NCT00846989) Efficacy, Tolerability and Safety of RKI983 (0.05% & 0.10%) vs Xalatan in Patients With POAG or Ocular Hypertension. U.S. National Institutes of Health.
2 Effects of Y-39983, a selective Rho-associated protein kinase inhibitor, on blood flow in optic nerve head in rabbits and axonal regeneration of retinal ganglion cells in rats.Curr Eye Res. 2011 Oct;36(10):964-70.