ZM-447439 - Small Molecule (ID:10096-101)

HMS LINCS ID: 10096-101
Name: ZM-447439
Alternative Names:
LINCS ID: LSM-1096
PubChem CID: 9914412
ChEBI ID:
ChEMBL ID:
Molecular Mass: 513.24
InChi: InChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32)
InChi Key: OGNYUTNQZVRGMN-UHFFFAOYSA-N
SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5
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)
FYN, LCK, MAP4K5, RET
2
(equivalent to 100 nM ≤ Kd < 1µM)
AIM1, AURKA, AURKB, ERBB2, KDR, LTK, MAP2K1, MAP2K2, PDGFRA, ROCK2, TNK2
3
(equivalent to 1µM ≤ Kd < 10 µM)
ABL1, ACVR1, ALK, BTK, CAMK1D, CAMK2A, CDK5, CDK7, CDK8, CDK9, CHEK1, CLK2, CLK4, CSF1R, CSNK1A1, DAPK3, DYRK1A, DYRK1B, FGFR1, FLG, FLT1, FLT3, GRK5, GSK3A, GSK3B, IGF1R, IKBKE, JAK2, JAK3, LIMK1, LRRK2, MAP4K2, MAP4K4, MAPK14, MAPK8, MAPK9, MARK3, MET, MST1R, NEK2, NTRK1, NTRK2, NTRK3, PAK4, PDGFRB, PIM1, PRKAA1, PRKACA, PRKCQ, PRKD3, PRKX, PTK2, ROCK1, RPS6KA3, TAOK1, TBK1, TYRO3
10
(confirmed non-binding)
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Batch Information for HMSL10096-101-3:

HMS LINCS Batch ID: 10096-101-3
Provider: MedChem Express
Provider Batch ID: 09660
Salt: 101
Molecular Formula: C29H31N5O4
Molecular Weight: 513.59
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2015-06-17
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10096-101-3:

Date HMS QC Outcome Comment Files
08/31/2015 PASS HMSL10096-101-3_LCMS.pdf