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Details

Stereochemistry ACHIRAL
Molecular Formula C31H26F2N4O6
Molecular Weight 588.5593
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEP-40783

SMILES

CC(C)n1cc(C(=Nc2ccc(c(c2)F)Oc3ccnc4cc(c(cc43)OC)OC)O)c(=O)n(-c5ccc(cc5)F)c1=O

InChI

InChIKey=FKCWHHYUMFGOPY-UHFFFAOYSA-N
InChI=1S/C31H26F2N4O6/c1-17(2)36-16-22(30(39)37(31(36)40)20-8-5-18(32)6-9-20)29(38)35-19-7-10-26(23(33)13-19)43-25-11-12-34-24-15-28(42-4)27(41-3)14-21(24)25/h5-17H,1-4H3,(H,35,38)

HIDE SMILES / InChI

Molecular Formula C31H26F2N4O6
Molecular Weight 588.5593
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P30530
Gene ID: 558
Gene Symbol: AXL
Target Organism: Homo sapiens (Human)
7 nM [IC50]
Target ID: P08581
Gene ID: 4233
Gene Symbol: MET
Target Organism: Homo sapiens (Human)
12 nM [IC50]
Target ID: Q12866
Gene ID: 10461
Gene Symbol: MERTK
Target Organism: Homo sapiens (Human)
29 nM [IC50]
Target ID: Q06418
Gene ID: 7301
Gene Symbol: TYRO3
Target Organism: Homo sapiens (Human)
19 nM [IC50]
Substance Class Chemical
Created
by admin
on Sat Jun 26 13:29:01 UTC 2021
Edited
by admin
on Sat Jun 26 13:29:01 UTC 2021
Record UNII
1969ZJE05Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEP-40783
Code English
RXDX-106
Code English
5-PYRIMIDINECARBOXAMIDE, N-(4-((6,7-DIMETHOXY-4-QUINOLINYL)OXY)-3-FLUOROPHENYL)-3-(4-FLUOROPHENYL)-1,2,3,4-TETRAHYDRO-1-(1-METHYLETHYL)-2,4-DIOXO-
Systematic Name English
N-(4-((6,7-DIMETHOXY-4-QUINOLINYL)OXY)-3-FLUOROPHENYL)-3-(4-FLUOROPHENYL)-1,2,3,4-TETRAHYDRO-1-(1-METHYLETHYL)-2,4-DIOXO-5-PYRIMIDINECARBOXAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
71576419
Created by admin on Sat Jun 26 13:29:01 UTC 2021 , Edited by admin on Sat Jun 26 13:29:01 UTC 2021
PRIMARY
FDA UNII
1969ZJE05Q
Created by admin on Sat Jun 26 13:29:01 UTC 2021 , Edited by admin on Sat Jun 26 13:29:01 UTC 2021
PRIMARY
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BIOCHEMICAL SLOW OFF RATE
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CELLULAR ASSAY pseudo-irreversible
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CELLULAR ASSAY pseudo-irreversible
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TARGET -> INHIBITOR
CELLULAR ASSAY pseudo-irreversible
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BIOCHEMICAL SLOW OFF RATE
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OFF TARGET->NON-INHIBITOR
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ACTIVE MOIETY