General Information of Drug (ID: DMX4E75)

Drug Name
RP-66153
Synonyms
RP-66153; RP 66153; CHEMBL108415; 142422-79-5; AC1L30YM; SCHEMBL4355829; DTXSID80162034; 2,2-Dimethyl-7-(3-(3-phenylpropyl)-2-thienyl)heptanoic acid; BDBM50001162; 2-Thiopheneheptanoic acid, alpha,alpha-dimethyl-3-(3-phenylpropyl); 2,2-dimethyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid; 2,2-Dimethyl-7-[3-(3-phenyl-propyl)-thiophen-2-yl]-heptanoic acid
Indication
Disease Entry ICD 11 Status REF
Asthma CA23 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 358.5
Logarithm of the Partition Coefficient (xlogp) 6.9
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C22H30O2S
IUPAC Name
2,2-dimethyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid
Canonical SMILES
CC(C)(CCCCCC1=C(C=CS1)CCCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C22H30O2S/c1-22(2,21(23)24)16-8-4-7-14-20-19(15-17-25-20)13-9-12-18-10-5-3-6-11-18/h3,5-6,10-11,15,17H,4,7-9,12-14,16H2,1-2H3,(H,23,24)
InChIKey
QMXLXSYXJOJQSN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
132425
CAS Number
142422-79-5
TTD ID
D04JJE

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 Asthma
ICD Disease Classification CA23
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 800003980)
2 Omega-[(omega-arylalkyl)thienyl]alkanoic acids: from specific LTA4 hydrolase inhibitors to LTB4 receptor antagonists. J Med Chem. 1992 Aug 21;35(17):3170-9.