Drug General Information
Drug ID
D0R4WT
Former ID
DIB003521
Drug Name
NB-325
Synonyms
PEHMB; Polyethylene hexamethylene biguanide
Drug Type
Small molecular drug
Indication Human immunodeficiency virus infection [ICD9: 279.3; ICD10:B20-B26] Investigative [543930]
Company
Novaflux Biosciences Inc
Structure
Download
2D MOL

3D MOL

Formula
C16H36Cl2N14
Canonical SMILES
C(CCC[NH+]=C(N)NC(=NCCN=C(C#N)N)N)CC[NH+]=C(N)NC(=NCCN)<br />N.[Cl-].[Cl-]
InChI
1S/C16H34N14.2ClH/c17-5-8-27-15(22)29-13(20)25-6-3-1-2-4-7-26-14(21)30-16(23)28-10-9-24-12(19)11-18;;/h1-10,17H2,(H2,19,24)(H5,20,22,25,27,29)(H5,21,23,26,28,30);2*1H
InChIKey
CNGBVJCBMLEXDO-UHFFFAOYSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) C-X-C chemokine receptor 4 Target Info Modulator [543930]
KEGG Pathway Cytokine-cytokine receptor interaction
Chemokine signaling pathway
Endocytosis
Axon guidance
Leukocyte transendothelial migration
Intestinal immune network for IgA production
Pathways in cancer
NetPath Pathway IL2 Signaling Pathway
IL4 Signaling Pathway
Leptin Signaling Pathway
PANTHER Pathway Axon guidance mediated by Slit/Robo
Inflammation mediated by chemokine and cytokine signaling pathway
Pathway Interaction Database S1P3 pathway
CXCR4-mediated signaling events
Syndecan-4-mediated signaling events
HIF-1-alpha transcription factor network
Ephrin B reverse signaling
Reactome Binding and entry of HIV virion
Chemokine receptors bind chemokines
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Hematopoietic Stem Cell Differentiation
HIV Life Cycle
Cardiac Progenitor Differentiation
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 543930(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. (Target id: 71).
Ref 543930(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. (Target id: 71).

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