radotinib Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
tyrosine kinase inhibitors 5188 926037-48-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • IY5511HCl
  • radotinib
  • radotinib dihydrochloride
  • radotinib hydrochloride
  • IY-5511
  • IY5511
  • supect
A second-generation tyrosine kinase inhibitor of Bcr-Abl fusion protein and the platelet-derived growth factor receptor (PDGFR), with potential antineoplastic activity. Upon administration, radotinib specifically inhibits the Bcr-Abl fusion protein, an abnormal enzyme expressed in Philadelphia chromosome-positive chronic myeloid leukemia (CML) cells. In addition, this agent also inhibits PDGFR thereby blocking PDGFR-mediated signal transduction pathways. The inhibitory effect of radotinib on these specific tyrosine kinases may decrease cellular proliferation and inhibit angiogenesis. This agent has shown potent efficacy in CML cells that are resistant to the first-generation standard tyrosine kinase inhibitors, such as imatinib, nilotinib and dasatinib.
  • Molecular weight: 530.52
  • Formula: C27H21F3N8O
  • CLOGP: 4.94
  • LIPINSKI: 1
  • HAC: 9
  • HDO: 2
  • TPSA: 110.51
  • ALOGS: -5.36
  • ROTB: 7

Drug dosage:

None

ADMET properties:

None

Approvals:

DateAgencyCompanyOrphan
Jan. 5, 2012 Korean Food and Drug Administration (KFDA) IL-Yang

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

None

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Chronic myeloid leukemia indication 92818009 DOID:8552

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 11.89 acidic
pKa2 6.03 Basic
pKa3 4.14 Basic
pKa4 3.22 Basic
pKa5 1.14 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Tyrosine-protein kinase ABL1 Kinase INHIBITOR IC50 7.51 SCIENTIFIC LITERATURE SCIENTIFIC LITERATURE

External reference:

IDSource
926037-85-6 SECONDARY_CAS_RN
C3467916 UMLSCUI
CHEMBL4297524 ChEMBL_ID
DB12323 DRUGBANK_ID
C000606751 MESH_SUPPLEMENTAL_RECORD_UI
7814 IUPHAR_LIGAND_ID
9242 INN_ID
I284LJY110 UNII
16063245 PUBCHEM_CID

Pharmaceutical products:

None