CMap Candidate Details

Structure:
CMap ID: C17229
Pert ID: BRD-K46469693
Compound Name: SCH-442416
Targets: ADORA1; ADORA2A
MoA: Adenosine receptor antagonist
SMILES: COc1ccc(CCCn2ncc3c4nc(nn4c(N)nc23)c5ccco5)cc1
InchiKey: AEULVFLPCJOBCE-UHFFFAOYSA-N
Compound Aliases: --

Score ID Pert ID Cell Line Pert Dose Pert Time Raw Score (GSE126848) Normalized Score (GSE126848) fdr_q_nlog10 (GSE126848) Raw Score (GSE135251) Normalized Score (GSE135251) fdr_q_nlog10 (GSE135251)
4116 BRD-K46469693 HA1E 10 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
4436 BRD-K46469693 HCC515 10 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
4807 BRD-K46469693 PC3 10 uM 6 h 0.0 0.0 0.0 0.0 0.0 0.0
5090 BRD-K46469693 VCAP 10 uM 6 h 0.0 0.0 0.0 -0.23 -0.78 0.1
44406 BRD-K46469693 A375 10 uM 6 h 0.0 0.0 0.0 0.0 0.0 0.0
44710 BRD-K46469693 A549 10 uM 6 h 0.3 1.23 0.5 0.0 0.0 0.0
44971 BRD-K46469693 ASC 10 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
45266 BRD-K46469693 HEPG2 10 uM 6 h 0.0 0.0 0.0 0.0 0.0 0.0
45535 BRD-K46469693 HT29 10 uM 6 h 0.0 0.0 0.0 0.0 0.0 0.0
45700 BRD-K46469693 MCF??7.00 10 uM 24 h 0.0 0.0 0.0 -0.34 -1.15 1.07
46087 BRD-K46469693 NPC 10 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
46402 BRD-K46469693 PHH 10 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
46725 BRD-K46469693 SKB 10 uM 24 h 0.18 0.74 0.0 0.0 0.0 0.0
99569 BRD-K46469693 U2OS 10 uM 6 h 0.27 1.13 0.29 0.26 0.91 0.24
The GSE89632 and GSE126848 datasets are hepatic gene expression profiles of nonalcoholic fatty liver disease (NAFLD).