BPH-628 - Moligand™ , Inhibitor of geranylgeranyl diphosphate synthase, CAS No.1059677-40-5, Inhibitor of geranylgeranyl diphosphate synthase

CAS: 1059677-40-5 Cat. No.: B608190 PubChem CID: 16122554

GRADE & PURITY Moligand™

Synonyms

B28;BPH 628;BPH628

Storage

Room temperature

Specifications

Synonyms

B28;BPH 628;BPH628

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of geranylgeranyl diphosphate synthase

Names and Identifiers

• Canonical Smiles: OP(=O)(C(P(=O)(O)O)(Cc1cccc(c1)c1ccc(cc1)c1ccccc1)O)O
• IUPAC Name: {1-hydroxy-2-[3-(4-phenylphenyl)phenyl]-1-phosphonoethyl}phosphonic acid
• InChIKey: MPBUFKZCEBTBSK-UHFFFAOYSA-N
• INCHI: 1S/C20H20O7P2/c21-20(28(22,23)24,29(25,26)27)14-15-5-4-8-19(13-15)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)
• Isomeric SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC(=C3)CC(O)(P(=O)(O)O)P(=O)(O)O
• PubChem CID: 16122554

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Terphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Terphenyls
• Intermediate Tree Nodes: Not available
• Direct Parent: P-terphenyls
• Alternative Parents: Biphenyls and derivatives Bisphosphonates Organic phosphonic acids Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Para-terphenyl - Biphenyl - Bisphosphonate - Organophosphonic acid derivative - Organophosphonic acid - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as p-terphenyls. These are terphenyls with a structure containing the 1,4-diphenylbenzene skeleton.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

GGPS1 Tchem Geranylgeranyl pyrophosphate synthase (6 Activities)

Discover Target: GGPS1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GGPS1 Tchem Geranylgeranyl pyrophosphate synthetase (715 Activities)

Discover Target: GGPS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action