CMap Candidate Details

Structure:
CMap ID: C29293
Pert ID: BRD-K84698278
Compound Name: agomelatine
Targets: HTR2C; MTNR1A; MTNR1B
MoA: Melatonin receptor agonist; Serotonin receptor antagonist
SMILES: COc1ccc2cccc(CCNC(C)=O)c2c1
InchiKey: YJYPHIXNFHFHND-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)
1438 BRD-K84698278 NPC 25 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
125988 BRD-K84698278 A549 10 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
126012 BRD-K84698278 HA1E 0.04 uM 24 h 0.0 0.0 0.0 -0.27 -0.92 0.34
126059 BRD-K84698278 HT29 10 uM 24 h 0.0 0.0 0.0 0.21 0.75 0.04
126094 BRD-K84698278 HUVEC 3.33 uM 24 h 0.0 0.0 0.0 -0.24 -0.8 0.12
126142 BRD-K84698278 JURKAT 1.11 uM 24 h 0.0 0.0 0.0 -0.31 -1.03 0.63
126195 BRD-K84698278 MCF10A 0.04 uM 24 h 0.0 0.0 0.0 0.23 0.83 0.11
126313 BRD-K84698278 THP1 0.37 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
134017 BRD-K84698278 A375 0.03 uM 24 h 0.0 0.0 0.0 0.3 1.07 0.63
134116 BRD-K84698278 HEK293 0.08 uM 24 h 0.0 0.0 0.0 -0.33 -1.11 0.91
134159 BRD-K84698278 HELA 0.25 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
134236 BRD-K84698278 MCF??7.00 0.74 uM 24 h 0.0 0.0 0.0 0.27 0.94 0.29
134270 BRD-K84698278 MDAMB231 0.01 uM 24 h 0.21 0.87 0.01 0.0 0.0 0.0
134293 BRD-K84698278 PC3 2.22 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
134324 BRD-K84698278 YAPC 2.22 uM 24 h -0.23 -0.97 0.11 0.0 0.0 0.0
The GSE89632 and GSE126848 datasets are hepatic gene expression profiles of nonalcoholic fatty liver disease (NAFLD).