CMap Candidate Details

Structure:
CMap ID: C13107
Pert ID: BRD-K33732501
Compound Name: methylnaltrexone
Targets: OPRK1; OPRM1
MoA: Opioid receptor antagonist
SMILES: C[N@@+]1(CC2CC2)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(O)CCC4=O)ccc5O
InchiKey: JVLBPIPGETUEET-RESYIPQXSA-O
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)
95424 BRD-K33732501 U2OS 10 uM 48 h 0.0 0.0 0.0 0.0 0.0 0.0
120527 BRD-K33732501 A375 10 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
120563 BRD-K33732501 A549 10 uM 24 h 0.0 0.0 0.0 -0.26 -0.89 0.26
120600 BRD-K33732501 HA1E 0.125 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
120666 BRD-K33732501 HT29 1.11 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
120718 BRD-K33732501 JURKAT 0.04 uM 24 h 0.27 1.12 0.26 0.0 0.0 0.0
120757 BRD-K33732501 MCF??7.00 0.04 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
120784 BRD-K33732501 PC3 10 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
120827 BRD-K33732501 YAPC 3.33 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
129037 BRD-K33732501 HELA 2.22 uM 3 h 0.0 0.0 0.0 0.0 0.0 0.0
The GSE89632 and GSE126848 datasets are hepatic gene expression profiles of nonalcoholic fatty liver disease (NAFLD).