XMD14-99 - Small Molecule (ID:10089-101)

HMS LINCS ID: 10089-101
Name: XMD14-99
Alternative Names:
LINCS ID: LSM-6297
PubChem CID:
ChEBI ID:
ChEMBL ID:
Molecular Mass: 491.09
InChi: InChI=1S/C22H23Cl2N5O2S/c1-28-8-10-29(11-9-28)13-6-7-16(17(12-13)31-2)26-22-27-21(25)20(32-22)19(30)18-14(23)4-3-5-15(18)24/h3-7,12H,8-11,25H2,1-2H3,(H,26,27)
InChi Key: UISRWLSAXIOCND-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC(=C(S3)C(=O)C4=C(C=CC=C4Cl)Cl)N)OC
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2016-04-04

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
2
(equivalent to 100 nM ≤ Kd < 1µM)
EPHB3
10
(confirmed non-binding)
(Click to show)

Batch Information for HMSL10089-101-1:

HMS LINCS Batch ID: 10089-101-1
Provider: Nathanael Gray (DFCI)
Provider Batch ID: XMD14-99-1
Salt: 101
Molecular Formula: C22H23Cl2N5O2S
Molecular Weight: 492.42
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10089-101-1:

Date HMS QC Outcome Comment Files
03/13/2015 PASS HMSL10089-101-1_LCMS.pdf
06/06/2011 PASS None