General Information of Drug (ID: DMF9XU4)

Drug Name
LM-1376
Indication
Disease Entry ICD 11 Status REF
Asthma CA23 Terminated [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 476.5
Logarithm of the Partition Coefficient (xlogp) 5.7
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C30H24N2O4
IUPAC Name
4-[2-[[7-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]ethyl]benzoic acid
Canonical SMILES
C1=CC=C2C(=C1)C=CC(=N2)COC3=CC4=C(C=CC(=C4)C(=O)NCCC5=CC=C(C=C5)C(=O)O)C=C3
InChI
InChI=1S/C30H24N2O4/c33-29(31-16-15-20-5-7-23(8-6-20)30(34)35)24-10-9-21-12-14-27(18-25(21)17-24)36-19-26-13-11-22-3-1-2-4-28(22)32-26/h1-14,17-18H,15-16,19H2,(H,31,33)(H,34,35)
InChIKey
IXSRNSVQRMOPTQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9891157
TTD ID
D00YOW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Leukotriene CysLT1 receptor (CYSLTR1) TTGKOY9 CLTR1_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

ICD Disease Classification 12 Disease of the respiratory system
Disease Class ICD-11: CA23 Asthma
The Studied Tissue Nasal and bronchial airway
The Studied Disease Asthma [ICD-11:CA23]
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Leukotriene CysLT1 receptor (CYSLTR1) DTT CYSLTR1 1.96E-02 0.24 0.43
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800006199)
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.