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 |
|---|---|
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) |
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 |
(Kd <100 nM)