Details of the Drug

General Information of Drug (ID: DMCED9U)

Drug Name
IRX-5183
Synonyms
AGN-195183; NRX-195183; NRX-5183; VTP-195183; VTP-5183; IRX-5183 (oral, autoimmune disease), Io Therapeutics; RARa (oral, cancer/autoimmune disease), Io Therapeutics; RARa agonist (topical, skin/eye diseases), Io Therapeutics; Retinoic acid receptor alpha agonist (oral, cancer/autoimmune disease), Io Therapeutics; Retinoic acid receptor alpha agonist (topical, skin/eye diseases), Io Therapeutics; IRX-5183 (oral, cancer/autoimmune disease), Io Therapeutics; IRX-5183 (topical, skin/eye diseases), Io Therapeutics
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 1 [1]
Affected Organisms
Humans and other mammals
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 437.9
Logarithm of the Partition Coefficient (xlogp) 6.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C22H22ClF2NO4
IUPAC Name
4-[(4-chloro-3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]-2,6-difluorobenzoic acid
Canonical SMILES
CC1(CCC(C2=C1C=C(C(=C2Cl)O)C(=O)NC3=CC(=C(C(=C3)F)C(=O)O)F)(C)C)C
InChI
InChI=1S/C22H22ClF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)
InChIKey
PNAWUIKCVQSLFG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9867758
ChEBI ID
CHEMBL107430
CAS Number
367273-07-2
UNII
RC87L028HU
DrugBank ID
DB05653
TTD ID
D0T3DO
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Retinoic acid receptor alpha (RARA) TTW38KT RARA_HUMAN Agonist [2]
Retinoic acid receptor RXR (RXR) TTP7WQM NOUNIPROTAC Agonist [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Solid tumour/cancer
ICD Disease Classification 2A00-2F9Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Retinoic acid receptor alpha (RARA) DTT RARA 4.46E-01 -0.04 -0.13
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Retinoic acid receptor alpha and retinoid X receptor specific agonists reduce renal injury in established chronic glomerulonephritis of the rat. J Mol Med (Berl). 2004 Feb;82(2):116-25.