WH-4-023 - Small Molecule (ID:10038-101)

HMS LINCS ID: 10038-101
Name: WH-4-023
Alternative Names:
LINCS ID: LSM-5613
PubChem CID:
ChEBI ID:
ChEMBL ID:
Molecular Mass: 568.28
InChi: InChI=1S/C32H36N6O4/c1-22-7-6-8-23(2)30(22)42-32(39)38(27-14-13-26(40-4)21-28(27)41-5)29-15-16-33-31(35-29)34-24-9-11-25(12-10-24)37-19-17-36(3)18-20-37/h6-16,21H,17-20H2,1-5H3,(H,33,34,35)
InChi Key: NBTNHSGBRGTFJS-UHFFFAOYSA-N
SMILES: O=C(OC1=C(C)C=CC=C1C)N(C2=CC=C(OC)C=C2OC)C3=NC(NC4=CC=C(N5CCN(C)CC5)C=C4)=NC=C3
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)
LCK, SRC
2
(equivalent to 100 nM ≤ Kd < 1µM)
ABL1, ABL2, ACVR1, BLK, BMPR1A, BMPR1B, CDKL3, CSF1R, DDR2, DMPK, EPHA1, EPHA2, EPHA4, EPHA6, EPHB1, EPHB2, EPHB3, EPHB4, ERBB3, FPGT-TNNI3K, FRK, FYN, KDR, LIMK1, LIMK2, LYN, PDGFRB, PTK6, RIPK2, SLK, STK10, TESK1, TNK1, TNK2, TNNI3K, YES1
3
(equivalent to 1µM ≤ Kd < 10 µM)
MAPK14
10
(confirmed non-binding)
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Batch Information for HMSL10038-101-1:

HMS LINCS Batch ID: 10038-101-1
Provider: Nathanael Gray (DFCI)
Provider Batch ID: WH-4-023-1
Salt: 101
Molecular Formula: C32H36N6O4
Molecular Weight: 568.67
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10038-101-1:

Date HMS QC Outcome Comment Files
03/13/2015 PASS HMSL10038-101-1_LCMS.pdf
06/06/2011 PASS None