Details of the Drug

General Information of Drug (ID: DMBNYJW)

Drug Name
TEI-8362
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): 2 Molecular Weight (mw) 540.5
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 14
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C26H28N4O9
IUPAC Name
(4S)-5-[[2-(3-carboxypropylamino)-5-methyl-4-oxo-3,1-benzoxazin-7-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
Canonical SMILES
CC1=CC(=CC2=C1C(=O)OC(=N2)NCCCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C26H28N4O9/c1-15-12-17(13-19-22(15)24(36)39-25(29-19)27-11-5-8-20(31)32)28-23(35)18(9-10-21(33)34)30-26(37)38-14-16-6-3-2-4-7-16/h2-4,6-7,12-13,18H,5,8-11,14H2,1H3,(H,27,29)(H,28,35)(H,30,37)(H,31,32)(H,33,34)/t18-/m0/s1
InChIKey
JLDVWXAMNKPCJI-SFHVURJKSA-N
Cross-matching ID
PubChem CID
9894678
TTD ID
D05CWG

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Neutrophil elastase (NE) TTPLTSQ ELNE_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
Neutrophil elastase (NE) DTT ELANE 2.35E-01 -0.55 -0.82
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Neutrophil elastase inhibitors as treatment for COPD. Expert Opin Investig Drugs. 2002 Jul;11(7):965-80.