Dactolisib - Small Molecule (ID:10232-101)
| HMS LINCS ID: |
10232-101
|
| Name: | Dactolisib |
| Alternative Names: | BEZ235; NVP-BEZ235 |
| LINCS ID: | LSM-4255 |
| PubChem CID: | 11977753 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 469.19 |
| InChi: | InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 |
| InChi Key: | JOGKUKXHTYWRGZ-UHFFFAOYSA-N |
| SMILES: | CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5 |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-08-17 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
CHEK1, CLK4, FKBP1A, MAP4K2, MTOR, PIK3CA, PIK3CD, PIK3CG | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | ALK, CDK7, CSF1R, LIMK1, LTK, MAP4K5, MET, NEK6, PIK3CB, PIK3R1 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | ABL1, ACVR1, AIM1, AURKA, AURKB, BTK, CAMK1D, CAMK2A, CDK5, CDK8, CDK9, CLK2, CSNK1A1, DAPK3, DYRK1A, DYRK1B, FGFR1, FLG, FLT1, FLT3, FYN, GRK5, GSK3A, GSK3B, IGF1R, IKBKE, JAK2, JAK3, KDR, KIT, LCK, LRRK2, MAP2K1, MAP2K2, MAP4K4, MAPK14, MAPK8, MAPK9, MST1R, NEK2, NTRK1, NTRK2, NTRK3, PAK4, PDGFRA, PDGFRB, PIM1, PKN2, PRKAA1, PRKACA, PRKCQ, PRKD3, PRKX, PTK2, RET, ROCK1, RPS6KA3, TAOK1, TBK1, TNK2, TYRO3 |
10 (confirmed non-binding) |
Batch Information for HMSL10232-101-1:
| HMS LINCS Batch ID: | 10232-101-1 |
| Provider: | Haoyuan chemexpress |
| Provider Batch ID: | HY-158_TM-20110106 |
| Salt: | 101 |
| Molecular Formula: | C30H23N5O |
| Molecular Weight: | 469.54 |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2012-11-14 |
| Most Recent Update: | 2016-04-04 |
HMS QC Testing Events for HMSL10232-101-1:
| Date | HMS QC Outcome | Comment | Files |
|---|---|---|---|
| 04/13/2015 | PASS | HMSL10232-101-1_LCMS.pdf |
(Kd <100 nM)