Drug General Information
Drug ID
DX7RDT
Drug Name
4-[4-(3-Hydroxy-adamantan-1-ylamino)-5-nitro-pyrimidin-2-ylamino]-benzoic acid
Synonyms
CHEMBL402902
Indication Discovery agent Investigative [1587926]
Formula
C21H23N5O5
Canonical SMILES
OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(O)(C5)C3)C4)n2)[N+](=O)[O-])cc1
InChI
InChI=1S/C21H23N5O5/c27-18(28)14-1-3-15(4-2-14)23-19-22-10-16(26(30)31)17(24-19)25-20-6-12-5-13(7-20)9-21(29,8-12)11-20/h1-4,10,12-13,29H,5-9,11H2,(H,27,28)(H2,22,23,24,25)
InChIKey
YLVVCSCPLBFQFV-UHFFFAOYSA-N
Target and Pathway
Target(s) Aurora kinase A Target Info [1587926]
Glycogen synthase kinase-3 Target Info [1587926]
KEGG Pathway Oocyte meiosis
NetPath Pathway TGF_beta_Receptor Signaling Pathway
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Insulin/IGF pathway-protein kinase B signaling cascade
PDGF signaling pathway
Ras Pathway
Pathway Interaction Database Aurora B signaling
Signaling by Aurora kinases
Integrin-linked kinase signaling
PLK1 signaling events
Aurora A signalingbetacatenin_deg_pathway:Degradation of beta catenin
Canonical Wnt signaling pathway
FOXM1 transcription factor network
Class I PI3K signaling events mediated by Akt
Reactome APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins in late mitosis/early G1
Regulation of PLK1 Activity at G2/M TransitionR-HSA-198323:AKT phosphorylates targets in the cytosol
XBP1(S) activates chaperone genes
Constitutive Signaling by AKT1 E17K in Cancer
WikiPathways EGF/EGFR Signaling Pathway
JAK/STAT
Gastric Cancer Network 1
Integrated Breast Cancer Pathway
APC/C-mediated degradation of cell cycle proteins
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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