Details of the Drug

General Information of Drug (ID: DM9H7AZ)

Drug Name
AMG-126737
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 678.8
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 18
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C33H38N6O6S2
IUPAC Name
3-[[4-[5-[4-[[(3-carbamimidoylphenyl)sulfonylamino]methyl]phenoxy]pentoxy]phenyl]methylsulfamoyl]benzenecarboximidamide
Canonical SMILES
C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC=C(C=C2)OCCCCCOC3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC(=C4)C(=N)N)C(=N)N
InChI
InChI=1S/C33H38N6O6S2/c34-32(35)26-6-4-8-30(20-26)46(40,41)38-22-24-10-14-28(15-11-24)44-18-2-1-3-19-45-29-16-12-25(13-17-29)23-39-47(42,43)31-9-5-7-27(21-31)33(36)37/h4-17,20-21,38-39H,1-3,18-19,22-23H2,(H3,34,35)(H3,36,37)
InChIKey
CTLMBCYIAXNYOG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10462207
CAS Number
224054-76-6
TTD ID
D07IZR

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tryptase alpha/beta-1 (Tryptase) TTM1TDX TRYB1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Tryptase alpha/beta-1 (Tryptase) DTT TPSAB1 3.09E-07 1.07 0.89
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Tryptase inhibition blocks airway inflammation in a mouse asthma model. J Immunol. 2002 Feb 15;168(4):1992-2000.