Ponatinib - Small Molecule (ID:10150-101)

HMS LINCS ID: 10150-101
Name: Ponatinib
Alternative Names: AP24534
LINCS ID: LSM-1151
PubChem CID: 24826799
ChEBI ID:
ChEMBL ID:
Molecular Mass: 532.22
InChi: InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
InChi Key: PHXJVRSECIGDHY-UHFFFAOYSA-N
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5
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, ABL2, BCR, FGFR1, FLG, FLT3, KDR, KIT, RET, SRC, SRC
2
(equivalent to 100 nM ≤ Kd < 1µM)
BLK, EPHA2, EPHA3, EPHA4, EPHA5, EPHA7, EPHA8, EPHB1, EPHB2, EPHB3, EPHB4, FGFR2, FGFR3, FGFR4, FGR, FLT1, FLT4, FRK, FYN, HCK, LCK, LYN, PDGFRA, PDGFRB, TEK, YES1

Batch Information for HMSL10150-101-1:

HMS LINCS Batch ID: 10150-101-1
Provider: Haoyuan chemexpress
Provider Batch ID: HY-12047-20110429
Salt: 101
Molecular Formula: C29H27F3N6O
Molecular Weight: 532.56
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10150-101-1:

Date HMS QC Outcome Comment Files
04/13/2015 PASS HMSL10150-101-1_LCMS.pdf
11/14/2011 PASS None