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
ChEBI ID
CHEMBL95799
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.