Imatinib - Small Molecule (ID:10023-103)

HMS LINCS ID: 10023-103
Name: Imatinib
Alternative Names: Gleevec; Glivec; CGP-57148B; STI-571
LINCS ID: LSM-1023
PubChem CID: 5291
ChEBI ID:
ChEMBL ID: 941
Molecular Mass: 493.26
InChi: InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
InChi Key: KTUFNOKKBVMGRW-UHFFFAOYSA-N
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=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)
Abl1, ABL1, ABL2, CA1, CA2, CA9, Car15, CSF1R, DDR1, DDR2, KIT, LCK, PDGFRA, PDGFRB, SLC47A1, TKT
2
(equivalent to 100 nM ≤ Kd < 1µM)
BCR, BLK, CA12, CA14, CA3, CA6, CA7, HIPK4, LYN, NQO2, PIP4K2C, TBXAS1
3
(equivalent to 1µM ≤ Kd < 10 µM)
BRAF, CA4, Car13, CDC7, CDK1, CDK19, CHEK2, CHUK, CLK1, CLK4, CSNK1A1, DYRK1A, DYRK3, DYRK4, EEF2K, EGFR, EPHA8, ERBB4, FGR, FLT3, FPGT-TNNI3K, FRK, FYN, GAK, GRK5, HIPK2, IKBKB, IRAK1, MAP3K20, MAP4K2, MAPK10, MAPK13, MAPK8, MAPK9, MATK, MELK, MINK1, MST1R, NEK4, PLK4, PRKCG, PRKCI, PRKCZ, RAF1, ROCK1, ROCK2, RPS6KB1, SGK2, SRC, STK17A, SYK, TAOK1, TBK1, TNNI3K, TSSK2, TYK2
10
(confirmed non-binding)
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Batch Information for HMSL10023-103-3:

HMS LINCS Batch ID: 10023-103-3
Provider: LC Laboratories
Provider Batch ID:
Salt: 103
Molecular Formula: C30H35N7O4S
Molecular Weight: 589.71
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2012-11-14
Most Recent Update: 2016-12-02