Crizotinib - Small Molecule (ID:10027-101)

HMS LINCS ID: 10027-101
Name: Crizotinib
Alternative Names: PF02341066
LINCS ID: LSM-1027
PubChem CID: 11626560
ChEBI ID:
ChEMBL ID: 601719
Molecular Mass: 449.12
InChi: InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
InChi Key: KTEIFNKAUNYNJU-GFCCVEGCSA-N
SMILES: C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N
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, AIM1, ALK, AURKB, AXL, EPHA6, EPHB6, IRAK1, IRAK3, LCK, LTK, MAP3K2, MAP4K1, MAP4K2, MAP4K3, MAP4K5, MERTK, MET, MST1R, NPM1, NTRK1, NTRK2, NTRK3, PLK4, ROS1, SLK, STK10
2
(equivalent to 100 nM ≤ Kd < 1µM)
ABL2, ACVR1, ACVR1B, ANKK1, AURKA, BLK, BMP2K, BMPR1B, CASK, CDK11A, CDK11B, CDK7, CSF1R, DCLK1, DCLK2, DDR1, DDR2, DSTYK, EPHA1, EPHA2, EPHA3, EPHA4, EPHA7, EPHA8, EPHB1, EPHB4, FER, FES, FGR, FLT3, FPGT-TNNI3K, IGF1R, IKBKE, INSR, INSRR, JAK1, JAK2, JAK3, LIMK1, LIMK2, LYN, MAP3K12, MAP3K13, MAP3K19, MAP3K3, MAPK7, MST1, MUSK, NEK8, NEK9, NUAK2, PIP5K1A, PRKD1, PRKD3, PTK2, PTK2B, RIPK2, RPS6KB1, SBK3, SIK2, SRC, STK3, STK35, STK4, TAOK2, TAOK3, TBK1, Tek, TEK, TESK1, TIE1, TNK1, TNK2, TNNI3K, TXK, TYRO3, YES1
3
(equivalent to 1µM ≤ Kd < 10 µM)
AAK1, Abl1, AURKC, BMX, BTK, CAMKK2, CDKL2, COQ8B, DMPK, DYRK2, EGFR, EIF2AK2, EPHA5, FGFR3, FLT1, FRK, FYN, GRK4, HIPK4, IKBKB, IRAK4, ITK, KIT, MAP2K3, MAP3K1, MAP3K15, MAP3K7, MINK1, NEK7, NIM1K, PKD1, PRKAA1, RET, RIOK1, RIOK3, RIPK1, RIPK4, ROCK1, ROCK2, SBK1, SRPK1, SRPK3, STK26, SYK, TAOK1, TGFBR1, TYK2, ULK1, ULK2, ULK3, ZAP70
10
(confirmed non-binding)
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Batch Information for HMSL10027-101-1:

HMS LINCS Batch ID: 10027-101-1
Provider: Haoyuan chemexpress
Provider Batch ID: HM-036_12-20100427
Salt: 101
Molecular Formula: C21H22Cl2FN5O
Molecular Weight: 450.34
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10027-101-1:

Date HMS QC Outcome Comment Files
03/13/2015 PASS HMSL10027-101-1_LCMS.pdf
02/22/2011 PASS None