Nintedanib - Small Molecule (ID:10151-101)

HMS LINCS ID: 10151-101
Name: Nintedanib
Alternative Names: BIBF-1120; Vargatef
LINCS ID: LSM-1152
PubChem CID: 56965894
ChEBI ID:
ChEMBL ID:
Molecular Mass: 539.25
InChi: InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)
InChi Key: XZXHXSATPCNXJR-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)NC(=C3C4=C(C=C(C=C4)C(=O)OC)NC3=O)C5=CC=CC=C5
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)
AAK1, ABL1, ALK, AXL, BMP2K, BMPR2, CDK16, CDK17, CLK1, CLK4, CSF1R, DDR1, DDR2, FER, FGFR1, FLG, FLT1, FLT3, FLT4, GRK4, GSK3B, IGF1R, INSR, INSRR, JAK2, JAK3, Kdr, KDR, KIT, LCK, LRRK2, MAP2K1, MAP2K2, MAP2K5, MAP3K19, MAP3K2, MAP3K3, MAP3K7, MAP4K1, MELK, MERTK, MINK1, MST1, NTRK1, NTRK2, NTRK3, NUAK2, PDGFRA, PDGFRB, PIP4K2B, PIP5K1A, pknB, PLK4, PRKAA1, PRKAA2, PRKG1, PRPF4B, PTK2B, RET, RIOK1, RIOK3, RPS6KA2, RPS6KA3, SLK, SRPK1, SRPK2, SRPK3, STK10, STK11, STK16, STK26, STK3, STK4, TKT, TNIK, TTK, ULK3, YES1
2
(equivalent to 100 nM ≤ Kd < 1µM)
ACVR1, AIM1, AURKB, AURKC, BLK, BTK, CAMK1G, CAMKK1, CAMKK2, CDK14, CDK18, CDK4, CDK7, CHEK1, CLK2, CSNK1E, CSNK2A2, DCLK1, DCLK3, EPHA6, EPHB1, EPHB6, FGFR2, FGFR3, FGR, FYN, GSK3A, HIPK2, HIPK3, IKBKE, IRAK1, IRAK4, ITK, LATS1, LATS2, LTK, LYN, MAP3K11, MAP3K12, MAP3K13, MAP3K9, MAP4K2, MAP4K3, MAP4K4, MAP4K5, MAPK10, MAPK8, MARK3, MET, MUSK, MYLK, MYLK3, MYLK4, NUAK1, PAK3, PHKG1, PHKG2, PKD1, PKD2, PKN1, PRKD1, PRKD2, PRKD3, PTK2, RIPK1, RIPK4, RPS6KA1, RPS6KA4, RPS6KA5, RPS6KA6, RPS6KB1, SBK1, SIK1, SIK1B, SIK2, SRC, STK17A, STK17B, STK24, STK35, STK39, TBK1, TNK1, TPTEP2-CSNK1E, TXK, TYK2, ULK1, ULK2
3
(equivalent to 1µM ≤ Kd < 10 µM)
ABL2, ACVR1B, ACVRL1, C8orf44-SGK3, CAMK1, CAMK1D, CAMK2A, CAMK4, CDK2, CDKL2, CHUK, CSNK1D, CSNK2A1, DAPK2, DAPK3, DYRK1B, EIF2AK4, EPHA1, EPHA2, EPHA3, EPHB4, ERN1, FES, FGFR4, FRK, GRK1, GRK7, HCK, HIPK1, HIPK4, ICK, IRAK3, JAK1, MAP2K3, MAP2K4, MAP3K10, MAP3K15, MAPK7, MARK1, MARK2, MARK4, MAST1, MYLK2, MYO3B, OSR1, OXSR1, PAK2, PAK4, PAK5, PDK1, PDPK1, PF3D7_0217500, PKN2, PRKCQ, ROS1, SBK3, SGK3, STK33, TEK, TGFBR1, TIE1, TNK2, TSSK1B, TYRO3, WEE1, ZAP70
10
(confirmed non-binding)
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Batch Information for HMSL10151-101-1:

HMS LINCS Batch ID: 10151-101-1
Provider: Haoyuan chemexpress
Provider Batch ID: HM-046_TM-20100707
Salt: 101
Molecular Formula: C31H33N5O4
Molecular Weight: 539.62
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10151-101-1:

Date HMS QC Outcome Comment Files
04/13/2015 PASS HMSL10151-101-1_LCMS.pdf
11/14/2011 PASS None