Drug General Information
Drug ID
D06TKI
Former ID
DIB012998
Drug Name
CHR-3996
Synonyms
CCT-075453; CHR-2504; HDAC inhibitors, Chroma Therapeutics; Histone deacetylase inhibitors, Chroma
Drug Type
Small molecular drug
Indication Solid tumours [ICD9: 140-199, 210-229; ICD10:C00-D48] Phase 1 [531893], [543102]
Company
Chroma Therapeutics Ltd
Structure
Download
2D MOL

3D MOL

Formula
C21H20FN5O2
InChI
InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+
InChIKey
QRGHOAATPOLDPF-VQFNDLOPSA-N
PubChem Compound ID
Target and Pathway
Target(s) Histone deacetylase 2 Target Info Inhibitor [531893]
Histone deacetylase 1 Target Info Inhibitor [531893]
Histone deacetylase-3 Target Info Inhibitor [531893]
KEGG Pathway Cell cycle
Notch signaling pathway
Thyroid hormone signaling pathway
Huntington's disease
Alcoholism
Epstein-Barr virus infection
Pathways in cancer
Transcriptional misregulation in cancer
Viral carcinogenesis
Chronic myeloid leukemiahsa04110:Cell cycle
Amphetamine addiction
MicroRNAs in cancer
Chronic myeloid leukemiahsa04919:Thyroid hormone signaling pathway
NetPath Pathway TCR Signaling PathwayNetPath_11:TCR Signaling Pathway
PANTHER Pathway Wnt signaling pathwayP00057:Wnt signaling pathway
p53 pathwayP00057:Wnt signaling pathway
Pathway Interaction Database Regulation of nuclear SMAD2/3 signaling
Signaling events mediated by HDAC Class I
Regulation of Telomerase
Glucocorticoid receptor regulatory network
Direct p53 effectors
Hedgehog signaling events mediated by Gli proteins
Regulation of nuclear beta catenin signaling and target gene transcriptionsmad2_3nuclearpathway:Regulation of nuclear SMAD2/3 signaling
Notch signaling pathway
E2F transcription factor network
Presenilin action in Notch and Wnt signaling
Sumoylation by RanBP2 regulates transcriptional repression
Regulation of Androgen receptor activity
IL3-mediated signaling events
Validated nuclear estrogen receptor alpha network
Retinoic acid receptors-mediated signaling
Regulation of nuclear beta catenin signaling and target gene transcription
Validated targets of C-MYC transcriptional repression
Regulation of retinoblastoma protein
Notch-mediated HES/HEY networkhdac_classii_pathway:Signaling events mediated by HDAC Class II
Reactome p75NTR negatively regulates cell cycle via SC1
NOTCH1 Intracellular Domain Regulates Transcription
Constitutive Signaling by NOTCH1 PEST Domain Mutants
Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants
HDACs deacetylate histones
NoRC negatively regulates rRNA expression
RNA Polymerase I Transcription Initiation
Factors involved in megakaryocyte development and platelet productionR-HSA-1538133:G0 and Early G1
Formation of the beta-catenin:TCF transactivating complex
SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription
Deactivation of the beta-catenin transactivating complex
Factors involved in megakaryocyte development and platelet production
WikiPathways Notch Signaling Pathway
Notch Signaling Pathway
Neural Crest Differentiation
Signalling by NGF
RNA Polymerase I, RNA Polymerase III, and Mitochondrial Transcription
Factors involved in megakaryocyte development and platelet production
Cell CycleWP706:SIDS Susceptibility Pathways
TGF beta Signaling Pathway
IL-6 signaling pathway
Apoptosis-related network due to altered Notch3 in ovarian cancer
Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer
Retinoblastoma (RB) in Cancer
TWEAK Signaling Pathway
Integrated Breast Cancer Pathway
Mitotic G1-G1/S phases
Cell Cycle
Androgen receptor signaling pathway
References
Ref 531893A phase I pharmacokinetic and pharmacodynamic study of CHR-3996, an oral class I selective histone deacetylase inhibitor in refractory solid tumors. Clin Cancer Res. 2012 May 1;18(9):2687-94.
Ref 543102(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8391).
Ref 531893A phase I pharmacokinetic and pharmacodynamic study of CHR-3996, an oral class I selective histone deacetylase inhibitor in refractory solid tumors. Clin Cancer Res. 2012 May 1;18(9):2687-94.

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