TTD | Drug: D05HQX

Drug General Information
Drug ID	D05HQX
Former ID	DNC003874
Drug Name	4-(7-Butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-phenol
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[526504]
Structure
Formula	C16H17N3O
Canonical SMILES	CCCCC1=C2C(=NC=CN2)NC1=C3C=CC(=O)C=C3
InChI	1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,17H,2-4H2,1H3,(H,18,19)
InChIKey	AYIIQABSVDIZSY-UHFFFAOYSA-N
PubChem Compound ID	5326843
Target and Pathway
Target(s)	G1/S-specific cyclin E1	Target Info	Inhibitor	[526504]
	Cyclin-A2	Target Info	Inhibitor	[526504]
	Cell division protein kinase 2	Target Info	Inhibitor	[526504]
KEGG Pathway	Cell cycle
	Oocyte meiosis
	p53 signaling pathway
	PI3K-Akt signaling pathway
	Hepatitis B
	Measles
	Pathways in cancer
	Viral carcinogenesis
	MicroRNAs in cancer
	Prostate cancer
	Small cell lung cancerhsa03030:DNA replication
	Base excision repair
	Nucleotide excision repair
	Mismatch repair
	HTLV-I infectionhsa04068:FoxO signaling pathway
	Progesterone-mediated oocyte maturation
	Herpes simplex infection
	Epstein-Barr virus infection
	Small cell lung cancer
NetPath Pathway	IL2 Signaling Pathway
NetPath Pathway	TCR Signaling PathwayNetPath_11:TCR Signaling Pathway
PANTHER Pathway	Cell cycle
	Parkinson disease
	p53 pathway
	p53 pathway feedback loops 2P00059:p53 pathway
	p53 pathway feedback loops 2
Pathway Interaction Database	Signaling events mediated by PRL
	E2F transcription factor network
	mTOR signaling pathway
	FOXM1 transcription factor network
	BARD1 signaling events
	PLK3 signaling events
	Regulation of retinoblastoma proteinsmad2_3nuclearpathway:Regulation of nuclear SMAD2/3 signaling
	p73 transcription factor network
	ATR signaling pathway
	IL2-mediated signaling events
	FoxO family signaling
	p53 pathway
	Regulation of retinoblastoma protein
PathWhiz Pathway	Nucleotide Excision Repair
Reactome	E2F mediated regulation of DNA replication
	G0 and Early G1
	SCF(Skp2)-mediated degradation of p27/p21
	DNA Damage/Telomere Stress Induced Senescence
	Cyclin E associated events during G1/S transition
	G1/S-Specific Transcription
	p53-Dependent G1 DNA Damage ResponseR-HSA-113510:E2F mediated regulation of DNA replication
	Cdc20:Phospho-APC/C mediated degradation of Cyclin A
	Regulation of APC/C activators between G1/S and early anaphase
	Senescence-Associated Secretory Phenotype (SASP)
	Mismatch repair (MMR) directed by MSH2:MSH6 (MutSalpha)
	Mismatch repair (MMR) directed by MSH2:MSH3 (MutSbeta)
	HDR through Homologous Recombination (HRR)
	Processing of DNA double-strand break ends
	Dual Incision in GG-NER
	Dual incision in TC-NER
	Gap-filling DNA repair synthesis and ligation in TC-NER
	G2 Phase
	Orc1 removal from chromatin
	Cyclin A/B1 associated events during G2/M transition
	Cyclin A:Cdk2-associated events at S phase entryR-HSA-1538133:G0 and Early G1
	Activation of ATR in response to replication stress
	p53-Dependent G1 DNA Damage Response
	Cyclin A:Cdk2-associated events at S phase entry
	Meiotic recombination
	Factors involved in megakaryocyte development and platelet production
WikiPathways	DNA Damage Response
	ID signaling pathway
	G1 to S cell cycle control
	Retinoblastoma (RB) in Cancer
	Integrated Pancreatic Cancer Pathway
	Parkinsons Disease Pathway
	Parkin-Ubiquitin Proteasomal System pathway
	Signaling Pathways in Glioblastoma
	TSH signaling pathway
	Mitotic G1-G1/S phases
	Cell Cycle
	miRNAs involved in DNA damage response
	miRNA Regulation of DNA Damage Response
	Androgen receptor signaling pathwayWP615:Senescence and Autophagy in Cancer
	Mismatch repair
	DNA Replication
	EGF/EGFR Signaling Pathway
	S Phase
	Nifedipine Activity
	Primary Focal Segmental Glomerulosclerosis FSGS
	Nucleotide Excision Repair
	Telomere Maintenance
	Synthesis of DNA
	Base Excision RepairWP707:DNA Damage Response
	M/G1 Transition
	Meiotic Recombination
	Aryl Hydrocarbon Receptor
	ATM Signaling Pathway
	Spinal Cord Injury
	Oncostatin M Signaling Pathway
	Prostate Cancer
	Integrated Breast Cancer Pathway
	Integrated Cancer pathway
	Regulation of DNA replication
	Mitotic G2-G2/M phases
	Factors involved in megakaryocyte development and platelet production
	APC/C-mediated degradation of cell cycle proteins
	Cell Cycle Checkpoints
References
Ref 526504	J Med Chem. 2003 Jan 16;46(2):222-36.Aloisines, a new family of CDK/GSK-3 inhibitors. SAR study, crystal structure in complex with CDK2, enzyme selectivity, and cellular effects.
Ref 526504	J Med Chem. 2003 Jan 16;46(2):222-36.Aloisines, a new family of CDK/GSK-3 inhibitors. SAR study, crystal structure in complex with CDK2, enzyme selectivity, and cellular effects.

Drug Information