Details of the Drug

General Information of Drug (ID: DMBS3UG)

Drug Name
CORT-125134
Synonyms
relacorilant; Relacorilant; UNII-2158753C7E; 2158753C7E; 1496510-51-0; Relacorilant [INN]; Relacorilant [WHO-DD]; Relacorilant [USAN:INN]; SCHEMBL15454999; WANIDIGFXJFFEL-SANMLTNESA-N; CORT125134; ZINC141949519; AKOS032945759; J3.651.009I; ((4aR)-1-(4-fluorophenyl)-6-(1-methyl-1H-pyrazole-4-sulfonyl)-1,4,5,6,7,8-hexahydro-4aH-pyrazolo(3,4-g)isoquinolin-4a-yl)(4-(trifluoromethyl)pyridin-2-yl)methanone; Methanone, ((4aR)-1-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-6-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-4ah-pyrazolo(3,4-g)isoqui
Indication
Disease Entry ICD 11 Status REF
Cushing disease 5A70 Phase 3 [1]
Solid tumour/cancer 2A00-2F9Z Phase 1/2 [2]
Alcohol dependence 6C40.2 Clinical trial [3]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 586.6
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 11
Chemical Identifiers
Formula
C27H22F4N6O3S
IUPAC Name
[(4aR)-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-[4-(trifluoromethyl)pyridin-2-yl]methanone
Canonical SMILES
CN1C=C(C=N1)S(=O)(=O)N2CCC3=CC4=C(C[C@@]3(C2)C(=O)C5=NC=CC(=C5)C(F)(F)F)C=NN4C6=CC=C(C=C6)F
InChI
InChI=1S/C27H22F4N6O3S/c1-35-15-22(14-33-35)41(39,40)36-9-7-18-11-24-17(13-34-37(24)21-4-2-20(28)3-5-21)12-26(18,16-36)25(38)23-10-19(6-8-32-23)27(29,30)31/h2-6,8,10-11,13-15H,7,9,12,16H2,1H3/t26-/m0/s1
InChIKey
WANIDIGFXJFFEL-SANMLTNESA-N
Cross-matching ID
PubChem CID
73051463
CAS Number
1496510-51-0
TTD ID
D03WNG
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glucocorticoid receptor (NR3C1) TTYRL6O GCR_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT03697109) A Study of the Efficacy and Safety of Relacorilant in Patients With Endogenous Cushing Syndrome (GRACE). U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)