Vandetanib - Small Molecule (ID:10198-101)

HMS LINCS ID: 10198-101
Name: Vandetanib
Alternative Names: ZD6474; Zactima; Caprelsa
LINCS ID: LSM-1199
PubChem CID: 3081361
ChEBI ID:
ChEMBL ID:
Molecular Mass: 474.11
InChi: InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
InChi Key: UHTHHESEBZOYNR-UHFFFAOYSA-N
SMILES: CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2016-04-04

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
1
(Kd <100 nM)
ABL1, ABL2, BLK, DDR1, EGFR, EPHA6, EPHA8, EPHB6, GAK, IRAK4, KDR, LCK, MAP2K5, PDGFRB, RET, RIPK2, SLK, SRC, STK10, STK35, TYRO3
2
(equivalent to 100 nM ≤ Kd < 1µM)
ACVR1, ACVRL1, AXL, BMPR1B, DDR2, EPHA1, EPHA5, EPHB1, EPHB2, EPHB4, ERBB3, ERBB4, FGFR1, FGR, FLT1, FLT3, FLT4, FRK, FYN, HCK, KIT, LTK, LYN, MAP3K19, MAP4K5, MKNK1, PDGFRA, PLK4, PTK6, RIPK4, RPS6KA1, RPS6KA6, SIK2, TKT, Tuba1a, YES1
3
(equivalent to 1µM ≤ Kd < 10 µM)
ALK, AURKC, BTK, CDC42BPA, CDC42BPB, CDC42BPG, CDK7, CIT, COQ8A, COQ8B, CSF1R, CSK, CSNK1A1, CSNK1E, DYRK1A, EPHA2, EPHA3, EPHA4, EPHA7, ERBB2, FGFR2, FGFR3, FGFR4, FLG, FPGT-TNNI3K, GRK5, HUNK, IRAK1, MAP2K1, MAP2K2, MAP3K20, MAP3K4, MAP4K1, MAP4K2, MAP4K3, MAP4K4, MAPK6, MERTK, MET, MINK1, MKNK2, MST1R, PHKG1, PHKG2, PRKAA1, ROCK1, ROCK2, RPS6KB1, SIK1, SIK1B, SIK3, SRMS, STK32A, STK33, TAOK1, TBK1, TEK, TESK1, TIE1, TNIK, TNNI3K, TPTEP2-CSNK1E, TXK, ULK3
10
(confirmed non-binding)
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Batch Information for HMSL10198-101-1:

HMS LINCS Batch ID: 10198-101-1
Provider: Haoyuan chemexpress
Provider Batch ID: HY-10260-20111028
Salt: 101
Molecular Formula: C22H24BrFN4O2
Molecular Weight: 475.35
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10198-101-1:

Date HMS QC Outcome Comment Files
04/13/2015 PASS HMSL10198-101-1_LCMS.pdf
11/14/2011 PASS None