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
1
(Kd <100 nM)
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)
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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