CMap Candidate Details

Structure:
CMap ID: C23159
Pert ID: BRD-K65170927
Compound Name: aprepitant
Targets: TACR1
MoA: Tachykinin antagonist
SMILES: C[C@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InchiKey: ATALOFNDEOCMKK-OCCQLPPTSA-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)
96622 BRD-K65170927 A375 10 uM 24 h 0.0 0.0 0.0 -0.36 -1.2 1.19
96690 BRD-K65170927 PC3 3.33 uM 24 h 0.0 0.0 0.0 -0.35 -1.19 1.15
124973 BRD-K65170927 A549 3.33 uM 24 h -0.24 -1.01 0.16 -0.27 -0.91 0.31
125005 BRD-K65170927 HA1E 10 uM 24 h 0.18 0.75 0.0 0.0 0.0 0.0
125035 BRD-K65170927 HELA 10 uM 24 h 0.0 0.0 0.0 -0.32 -1.09 0.82
125174 BRD-K65170927 THP1 0.37 uM 24 h -0.25 -1.04 0.21 0.0 0.0 0.0
125215 BRD-K65170927 YAPC 10 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
133062 BRD-K65170927 HEK293 0.74 uM 24 h -0.24 -1.0 0.14 -0.24 -0.81 0.12
133124 BRD-K65170927 HT29 0.74 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
133169 BRD-K65170927 JURKAT 0.25 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
133204 BRD-K65170927 MCF10A 0.25 uM 24 h 0.0 0.0 0.0 0.31 1.1 0.7
133232 BRD-K65170927 MCF??7.00 0.03 uM 24 h 0.0 0.0 0.0 -0.3 -1.01 0.58
133266 BRD-K65170927 MDAMB231 0.74 uM 24 h 0.25 1.06 0.18 0.0 0.0 0.0
The GSE89632 and GSE126848 datasets are hepatic gene expression profiles of nonalcoholic fatty liver disease (NAFLD).