Details of the Drug

General Information of Drug (ID: DMUY4FD)

Drug Name
RP-69698
Synonyms CHEMBL95799; SCHEMBL8987246
Indication
Disease Entry ICD 11 Status REF
Inflammation 1A00-CA43.1 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 385.5
Logarithm of the Partition Coefficient (xlogp) 5.1
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C23H23N5O
IUPAC Name
2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine
Canonical SMILES
C1=CC=C(C=C1)C2=CC(=NC(=C2)OCCCCCC3=NNN=N3)C4=CC=CC=C4
InChI
InChI=1S/C23H23N5O/c1-4-10-18(11-5-1)20-16-21(19-12-6-2-7-13-19)24-23(17-20)29-15-9-3-8-14-22-25-27-28-26-22/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2,(H,25,26,27,28)
InChIKey
MIZPMMYJEGMAHP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10452674
TTD ID
D0J3NJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Leukotriene B4 receptor 1 (LTB4R) TTN53ZF LT4R1_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Inflammation
ICD Disease Classification 1A00-CA43.1
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Leukotriene B4 receptor 1 (LTB4R) DTT LTB4R 3.40E-01 0.21 0.53
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 800003683)
2 omega-[(4,6-Diphenyl-2-pyridyl)oxy]alkanoic acid derivatives: a new family of potent and orally active LTB4 antagonists. J Med Chem. 1992 Nov 13;35(23):4315-24.