Details of the Drug

General Information of Drug (ID: DM10ZJP)

Drug Name
Ronacaleret
Synonyms
Ronacaleret; UNII-DIH95YP7J3; DIH95YP7J3; CHEMBL1198855; 753449-67-1; SB-751689; Ronacaleret [INN]; SCHEMBL3737849; GTPL9473; BDBM50346036; AKOS030261487; DB05255; SB16763; SB 751689; 3-[3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]-4,5-difluorophenyl]propanoic acid; 3-[3-[[(2R)-3-[[2-(2,3-Dihydro-1H-indene-2-yl)-1,1-dimethylethyl]amino]-2-hydroxypropyl]oxy]-4,5-difluorophenyl]propionic acid
Indication
Disease Entry ICD 11 Status REF
Osteoporosis FB83.0 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 447.5
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C25H31F2NO4
IUPAC Name
3-[3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]-4,5-difluorophenyl]propanoic acid
Canonical SMILES
CC(C)(CC1CC2=CC=CC=C2C1)NC[C@H](COC3=C(C(=CC(=C3)CCC(=O)O)F)F)O
InChI
InChI=1S/C25H31F2NO4/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27/h3-6,11-12,17,20,28-29H,7-10,13-15H2,1-2H3,(H,30,31)/t20-/m1/s1
InChIKey
FQJISUPNMFRIFZ-HXUWFJFHSA-N
Cross-matching ID
PubChem CID
10345214
CAS Number
753449-67-1
DrugBank ID
DB05255
TTD ID
D07XPT
VARIDT ID
DR00729
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Extracellular calcium-sensing receptor (CASR) TTBUYHA CASR_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Osteoporosis
ICD Disease Classification FB83.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Extracellular calcium-sensing receptor (CASR) DTT CASR 5.81E-02 -0.03 -0.19
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 800023902)
2 Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).