CMap Candidate Details

Structure:
CMap ID: C30946
Pert ID: BRD-K89839824
Compound Name: raltitrexed
Targets: TYMS
MoA: Thymidylate synthase inhibitor
SMILES: CN(Cc1ccc2[nH]c(C)nc(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InchiKey: IVTVGDXNLFLDRM-HNNXBMFYSA-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)
23912 BRD-K89839824 PC3 10 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
24235 BRD-K89839824 VCAP 10 uM 24 h 0.0 0.0 0.0 -0.25 -0.83 0.17
30582 BRD-K89839824 ASC 10 uM 24 h -0.31 -1.28 0.74 0.0 0.0 0.0
30866 BRD-K89839824 HA1E 10 uM 6 h 0.22 0.92 0.04 -0.33 -1.1 0.87
31159 BRD-K89839824 HCC515 10 uM 6 h 0.0 0.0 0.0 0.0 0.0 0.0
31473 BRD-K89839824 HEPG2 10 uM 6 h 0.28 1.19 0.41 0.0 0.0 0.0
31577 BRD-K89839824 HT29 10 uM 6 h 0.0 0.0 0.0 -0.32 -1.08 0.78
31942 BRD-K89839824 MCF??7.00 10 uM 24 h -0.24 -1.02 0.17 0.0 0.0 0.0
32253 BRD-K89839824 NEU 10 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
32553 BRD-K89839824 NPC 10 uM 24 h 0.0 0.0 0.0 0.23 0.8 0.08
33166 BRD-K89839824 SKB 10 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
95504 BRD-K89839824 A549 1.11 uM 48 h -0.22 -0.92 0.06 0.0 0.0 0.0
95667 BRD-K89839824 U2OS 1.11 uM 48 h 0.0 0.0 0.0 -0.28 -0.96 0.42
96313 BRD-K89839824 A375 10 uM 24 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).