CMap Candidate Details

Structure:
CMap ID: C25595
Pert ID: BRD-K72951360
Compound Name: valrubicin
Targets: TOP2A
MoA: DNA inhibitor; Topoisomerase inhibitor
SMILES: CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)c2c(O)c3C(=O)c4c(OC)cccc4C(=O)c3c(O)c2C1
InchiKey: ZOCKGBMQLCSHFP-KQRAQHLDSA-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)
126639 BRD-K72951360 A375 1.11 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
126660 BRD-K72951360 A549 10 uM 24 h -0.24 -1.02 0.17 0.0 0.0 0.0
126679 BRD-K72951360 HA1E 0.37 uM 24 h 0.0 0.0 0.0 -0.3 -1.0 0.53
126700 BRD-K72951360 HEK293 3.33 uM 24 h 0.28 1.16 0.36 -0.33 -1.09 0.84
126728 BRD-K72951360 HELA 1.11 uM 24 h 0.3 1.24 0.53 -0.36 -1.23 1.25
126790 BRD-K72951360 JURKAT 3.33 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
126817 BRD-K72951360 MCF10A 3.33 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
126859 BRD-K72951360 MCF??7.00 3.33 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
126903 BRD-K72951360 MDAMB231 0.37 uM 24 h 0.0 0.0 0.0 0.27 0.95 0.31
126922 BRD-K72951360 PC3 3.33 uM 24 h 0.17 0.72 0.0 0.25 0.89 0.2
126973 BRD-K72951360 THP1 10 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
127004 BRD-K72951360 YAPC 1.11 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
134836 BRD-K72951360 HT29 2.22 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
134887 BRD-K72951360 HUVEC 2.22 uM 24 h 0.0 0.0 0.0 -0.34 -1.16 1.11
The GSE89632 and GSE126848 datasets are hepatic gene expression profiles of nonalcoholic fatty liver disease (NAFLD).