Erlotinib - Small Molecule (ID:10097-101)

HMS LINCS ID: 10097-101
Name: Erlotinib
Alternative Names: OSI-774
LINCS ID: LSM-1097
PubChem CID: 176870
ChEBI ID:
ChEMBL ID: 553
Molecular Mass: 393.17
InChi: InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
InChi Key: AAKJLRGGTJKAMG-UHFFFAOYSA-N
SMILES: COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC
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)
ABL1, EGFR, ERBB3, GAK, MAP2K5, MAP3K19, SLK, STK10
2
(equivalent to 100 nM ≤ Kd < 1µM)
ABL2, AURKC, BLK, CIT, CSNK1E, DDR1, EPHA5, EPHA6, EPHA8, ERBB2, ERBB4, FLT3, FPGT-TNNI3K, HIPK4, JAK3, KDR, LCK, LTK, LYN, MERTK, MKNK1, MYLK2, RET, RIPK2, SRC, TIE1, TNK1, TNNI3K, TPTEP2-CSNK1E, Tuba1a, Ulk3, ULK3
3
(equivalent to 1µM ≤ Kd < 10 µM)
AAK1, AIM1, ALK, AURKA, AURKB, AXL, BMP2K, CAMK2D, CDC42BPG, CDC7, CDK1, CHEK2, CHUK, COQ8A, COQ8B, CSK, CSNK1A1, CSNK1D, DAPK3, DMPK, DYRK1A, DYRK2, DYRK3, DYRK4, EEF2K, EIF2AK2, EIF2AK4, EPHA3, EPHA7, EPHB1, EPHB4, EPHB6, FGR, FLT1, FLT4, FRK, GRK4, GRK5, HCK, HIPK2, IKBKB, IRAK1, JAK2, KIT, LRRK2, MAP3K2, MAP3K3, MAP4K2, MAPK10, MAPK13, MAPK4, MAPK9, MATK, MET, MINK1, MKNK2, MST1R, NEK4, PASK, PDGFRA, PDGFRB, PIP4K2C, PLK4, PRKCG, PRKCI, PRKCZ, RIPK4, ROCK1, ROCK2, RPS6KA4, RPS6KB1, SBK1, SIK2, SRPK3, STK17A, STK17B, STK36, TAOK1, TBK1, TNIK, TSSK2, TTK, TXK, TYK2, TYRO3, YES1
10
(confirmed non-binding)
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Batch Information for HMSL10097-101-1:

HMS LINCS Batch ID: 10097-101-1
Provider: Haoyuan chemexpress
Provider Batch ID: HY-50896-20110114
Salt: 101
Molecular Formula: C22H23N3O4
Molecular Weight: 393.44
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10097-101-1:

Date HMS QC Outcome Comment Files
03/13/2015 PASS HMSL10097-101-1_LCMS.pdf
02/22/2011 PASS None