KIN001-111 - Small Molecule (ID:10213-101)

HMS LINCS ID: 10213-101
Name: KIN001-111
Alternative Names: A770041
LINCS ID: LSM-1214
PubChem CID: 9549184
ChEBI ID:
ChEMBL ID: 197603
Molecular Mass: 621.32
InChi: InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)
InChi Key: ZMNWFTYYYCSSTF-UHFFFAOYSA-N
SMILES: CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)C(=NC=N4)N
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)
EGFR, ERBB2, ERBB4, LIMK1
2
(equivalent to 100 nM ≤ Kd < 1µM)
ABL1, ABL2, AIM1, AURKA, AURKB, BLK, CDC42BPA, CDC42BPB, CDC42BPG, CHEK2, CSF1R, CSK, CSNK1E, FER, FLT1, FPGT-TNNI3K, FRK, FYN, HCK, LATS2, LCK, LIMK2, LYN, MAP2K1, MAP2K2, MAP4K3, MAP4K5, NEK2, PAK4, PDGFRB, PLK4, PTK6, RIPK2, ROCK1, SRC, SRMS, STK10, STK36, TESK1, TNNI3K, TPTEP2-CSNK1E, TXK, YES1
3
(equivalent to 1µM ≤ Kd < 10 µM)
AKT1, AKT2, CAMK1, CDK1, CDK2, CHEK1, CSNK1D, CSNK2A1, DAPK3, DYRK1A, EPHA2, FGFR1, FGFR3, FLG, FLT3, FLT4, GSK3A, GSK3B, IGF1R, INSR, JAK2, KIT, MAPK1, MAPK8, MAPK9, MARK2, MARK3, MET, NTRK1, NTRK2, PAK1, PDK1, PDPK1, PIM2, PLK1, PLK3, ROCK2, RPS6KA3, RPS6KB1, STK3
10
(confirmed non-binding)
(Click to show)

Batch Information for HMSL10213-101-1:

HMS LINCS Batch ID: 10213-101-1
Provider: Nathanael Gray (DFCI)
Provider Batch ID:
Salt: 101
Molecular Formula:
Molecular Weight:
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-12-02

HMS QC Testing Events for HMSL10213-101-1:

Date HMS QC Outcome Comment Files
04/13/2015 PASS HMSL10213-101-1_NMR.pdf