Drug Information

Drug General Information
Drug ID
D0X0CS
Former ID
DNC006897
Drug Name
2,3,4-trihydroxy-5-isopropyl-N-phenyl-benzamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528469]
Structure
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2D MOL

3D MOL
Formula
C16H17NO4
Canonical SMILES
CC(C)C1=C(C(=C(C(=C1)C(=O)NC2=CC=CC=C2)O)O)O
InChI
1S/C16H17NO4/c1-9(2)11-8-12(14(19)15(20)13(11)18)16(21)17-10-6-4-3-5-7-10/h3-9,18-20H,1-2H3,(H,17,21)
InChIKey
HMVKMSUSFWLQLX-UHFFFAOYSA-N
PubChem Compound ID
16090303
Target and Pathway
Target(s) Apoptosis regulator Bcl-2 Target Info Inhibitor [528469]
KEGG Pathway NF-kappa B signaling pathway
HIF-1 signaling pathway
Sphingolipid signaling pathway
Protein processing in endoplasmic reticulum
PI3K-Akt signaling pathway
Apoptosis
Adrenergic signaling in cardiomyocytes
Focal adhesion
Neurotrophin signaling pathway
Cholinergic synapse
Amyotrophic lateral sclerosis (ALS)
Toxoplasmosis
Tuberculosis
Hepatitis B
Epstein-Barr virus infection
Pathways in cancer
MicroRNAs in cancer
Colorectal cancer
Prostate cancer
Small cell lung cancer
NetPath Pathway IL5 Signaling Pathway
TCR Signaling Pathway
IL2 Signaling Pathway
IL3 Signaling Pathway
Leptin Signaling Pathway
RANKL Signaling Pathway
TSLP Signaling Pathway
PANTHER Pathway Apoptosis signaling pathway
Oxidative stress response
CCKR signaling map ST
Pathway Interaction Database Role of Calcineurin-dependent NFAT signaling in lymphocytes
IL2-mediated signaling events
IL2 signaling events mediated by PI3K
Ceramide signaling pathway
Direct p53 effectors
RXR and RAR heterodimerization with other nuclear receptor
ATF-2 transcription factor network
C-MYB transcription factor network
HIV-1 Nef: Negative effector of Fas and TNF-alpha
Caspase Cascade in Apoptosis
Signaling events mediated by Stem cell factor receptor (c-Kit)
EPO signaling pathway
IL2 signaling events mediated by STAT5
Validated targets of C-MYC transcriptional repression
Reactome Activation of BAD and translocation to mitochondria
BH3-only proteins associate with and inactivate anti-apoptotic BCL-2 members
The NLRP1 inflammasome
WikiPathways DNA Damage Response (only ATM dependent)
Senescence and Autophagy in Cancer
IL-2 Signaling Pathway
FAS pathway and Stress induction of HSP regulation
Focal Adhesion
Kit receptor signaling pathway
IL-3 Signaling Pathway
Nucleotide-binding domain, leucine rich repeat containing receptor (NLR) signaling pathways
Apoptosis
Nanoparticle triggered autophagic cell death
Amyotrophic lateral sclerosis (ALS)
Integrated Pancreatic Cancer Pathway
Corticotropin-releasing hormone
Interleukin-11 Signaling Pathway
Prostate Cancer
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in leukocytes - TarBase
Integrated Breast Cancer Pathway
Integrated Cancer pathway
Intrinsic Pathway for Apoptosis
Apoptosis Modulation and Signaling
TP53 Network
Influenza A virus infection
IL-5 Signaling Pathway
References
Ref 528469J Med Chem. 2006 Oct 19;49(21):6139-42.Structure-based design of potent small-molecule inhibitors of anti-apoptotic Bcl-2 proteins.
Ref 528469J Med Chem. 2006 Oct 19;49(21):6139-42.Structure-based design of potent small-molecule inhibitors of anti-apoptotic Bcl-2 proteins.

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