CHIR-99021 - Small Molecule (ID:10180-101)
HMS LINCS ID: | 10180-101 |
Name: | CHIR-99021 |
Alternative Names: | CT99021; KIN001-157 |
LINCS ID: | LSM-1181 |
PubChem CID: | 9956119 |
ChEBI ID: | |
ChEMBL ID: | |
Molecular Mass: | 464.10 |
InChi: | InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32) |
InChi Key: | AQGNHMOJWBZFQQ-UHFFFAOYSA-N |
SMILES: | CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#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 |
---|---|
GSK3A, GSK3B | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | ABL1, FLT1, FYN |
3 (equivalent to 1µM ≤ Kd < 10 µM) | AIM1, AKT1, AKT2, ALK, AURKA, AURKB, AXL, BLK, CAMK1, CAMK2B, CAMK2D, CAMK2G, CCNB1, CCNB2, CCNB3, CDC7, CDK1, CDK2, CHEK1, CHEK2, CHUK, CLK2, CLK4, CSF1R, CSNK1A1, CSNK1D, CSNK1G1, CSNK1G2, CSNK2A1, DAPK3, DYRK1A, DYRK3, EEF2K, EGFR, EPHA2, ERBB2, ERBB4, FGFR1, FGFR3, FLG, FLT3, FLT4, HIPK2, HIPK4, IGF1R, IKBKB, INSR, IRAK1, ITK, JAK2, JAK3, KDR, KIT, LCK, LIMK1, LYN, MAP4K2, MAP4K5, MAPK1, MAPK12, MAPK13, MAPK8, MAPK9, MAPKAPK2, MAPKAPK5, MARK2, MARK3, MELK, MET, MINK1, NEK4, NTRK1, NTRK2, PAK4, PASK, PDK1, PDPK1, PHKG2, PIM2, PKN2, PLK1, PLK3, PLK4, PRKAA1, PRKACA, PRKCD, PRKCG, PRKCZ, PRKD3, PRKG1, PRKG2, PRKX, PTK2, PTK2B, PTK6, RET, ROCK2, RPS6KA3, RPS6KA5, RPS6KB1, SLK, SRC, SRPK1, STK3, TAOK1, TSSK1B, TSSK2, TYK2 |
10 (confirmed non-binding) |
Batch Information for HMSL10180-101-1:
HMS LINCS Batch ID: | 10180-101-1 |
Provider: | Haoyuan chemexpress |
Provider Batch ID: | HY-10182_1-20100831 |
Salt: | 101 |
Molecular Formula: | C22H18Cl2N8 |
Molecular Weight: | 465.34 |
Purity: | |
Purification Method: | |
Chemical Synthesis Reference: | |
Comments: | |
Date Publicly Available: | 2011-07-15 |
Most Recent Update: | 2016-04-04 |
HMS QC Testing Events for HMSL10180-101-1:
Date | HMS QC Outcome | Comment | Files |
---|---|---|---|
04/13/2015 | PASS | HMSL10180-101-1_LCMS.pdf | |
11/14/2011 | PASS | None |
(Kd <100 nM)