Details of the Drug

General Information of Drug (ID: DMH7R6L)

Drug Name
LDC1267
Synonyms
LDC1267; 1361030-48-9; LDC-1267; CHEMBL3808844; SCHEMBL167963; GTPL8247; MolPort-035-944-330; EX-A2265; AOB87188; BCP14023; BDBM50172075; s7638; ZINC113241878; AKOS026750422; CS-3603; SB19391; NCGC00386431-02; HY-12494; N-(4-((6,7-dimethoxyquinolin-4-yl)oxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluoro-2-methylphenyl)-1H-pyrazole-3-carboxamide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 560.5
Logarithm of the Partition Coefficient (xlogp) 5.7
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C30H26F2N4O5
IUPAC Name
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
Canonical SMILES
CCOC1=CN(N=C1C(=O)NC2=CC(=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)F)C5=C(C=C(C=C5)F)C
InChI
InChI=1S/C30H26F2N4O5/c1-5-40-28-16-36(23-8-6-18(31)12-17(23)2)35-29(28)30(37)34-19-7-9-25(21(32)13-19)41-24-10-11-33-22-15-27(39-4)26(38-3)14-20(22)24/h6-16H,5H2,1-4H3,(H,34,37)
InChIKey
ISPBCAXOSOLFME-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
56847486
ChEBI ID
CHEMBL3808844
TTD ID
D09TFN
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
TYRO3 tyrosine kinase receptor (TYRO3) TTIEMFN TYRO3_HUMAN Inhibitor [1]
Tyrosine-protein kinase Mer (MERTK) TTO7LKR MERTK_HUMAN Inhibitor [1]
Tyrosine-protein kinase UFO (AXL) TTZPY6J UFO_HUMAN Inhibitor [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Tyrosine-protein kinase Mer (MERTK) DTT MERTK 5.86E-04 0.3 0.47
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The E3 ligase Cbl-b and TAM receptors regulate cancer metastasis via natural killer cells. Nature. 2014 Mar 27;507(7493):508-12.