UCSF

ZINC12494625

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 24 No

Popular Name: farnesyl pyrophosphate farnesyl pyrophosphate

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CAS Numbers: 13058-04-3 , 372-97-4

Other Names:

(2-trans,6-trans)-farnesyl diphosphate(3-); (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl (phosphonatooxy)phosphonate; (2E,6E)-farnesyl diphosphate; (2E,6E)-farnesyl diphosphate(3-); (E,E)-farnesyl diphosphate(3-); farnesyl pyrophosphate(3-); trans,tra

(2E,6E)-farnesol diphosphate; (2E,6E)-farnesyl diphosphate; (2E,6E)-farnesyl pyrophosphate; (E,E)-farnesyl pyrophosphate; (all-E)-farnesyl diphosphate

(2E,6E)-Farnesyl diphosphate; (2E,6E)-Farnesyl pyrophosphate; (all-E)-Farnesyl diphosphate; (E,E)-Farnesyl diphosphate; (E,E)-Farnesyl pyrophosphate; 2-trans,6-trans-Farnesyl diphosphate; 2-trans,6-trans-Farnesyl pyrophosphate; all-trans-Farnesyl pyrophos

(2E,6E)-Farnesyl diphosphate; (2E,6E)-Farnesyl pyrophosphate; (E,E)-Farnesyl diphosphate; (E,E)-Farnesyl pyrophosphate; (all-E)-Farnesyl diphosphate; 2-trans,6-trans-Farnesyl diphosphate; 2-trans,6-trans-Farnesyl pyrophosphate; All-trans-Farnesyl pyrophos

(2E,6E)-farnesyl diphosphate; (E,E)-farnesyl diphosphate; 13058-04-3; 2-trans,6-trans-farnesyl diphosphate; FPP; all-trans-farnesyl diphosphate; farnesyl diphosphate; farnesyl pyrophosphate; farnesyl-PP; omega,E,E-farnesyl diphosphate; trans, trans-farnes

(2E,6E)-Farnesyl diphosphate; 2-trans,6-trans-Farnesyl diphosphate; 372-97-4; C00448; Farnesyl diphosphate; Farnesyl pyrophosphate; trans,trans-Farnesyl diphosphate

(2E,6E)-Farnesyl diphosphate;(2E,6E)-Farnesyl pyrophosphate;(all-E)-Farnesyl diphosphate;(E,E)-Farnesyl diphosphate;(E,E)-Farnesyl pyrophosphate;2-trans,6-trans-Farnesyl diphosphate;2-trans,6-trans-Farnesyl pyrophosphate;All-trans-Farnesyl pyrophosphate;F

(2E,6E)-Farnesyl diphosphate;(2E,6E)-Farnesyl pyrophosphate;(E,E)-Farnesyl diphosphate;(E,E)-Farnesyl pyrophosphate;(all-E)-Farnesyl diphosphate;2-trans,6-trans-Farnesyl diphosphate;2-trans,6-trans-Farnesyl pyrophosphate;All-trans-Farnesyl pyrophosphate;F

2-trans,6-trans-farnesyl diphosphate

2-trans,6-trans-farnesyl diphosphate(3-)

CHEBI:11491; CHEBI:42496; CHEBI:10700; CHEBI:11488; CHEBI:12854; CHEBI:19789; CHEBI:12874

DNC000637

FARNESYL DIPHOSPHATE

Farnesyl Diphosphate-TA

FARNESYL DIPHOSPHATE-TA; [13058-04-3]

{hydroxy[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxyphosphoryl}oxyphosphonic acid

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.37 9.67 -242.08 0 7 -3 122 379.306 11 ↓
Mid Mid (pH 6-8) 3.37 8.53 -122.03 1 7 -2 119 380.314 11 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 5EAS1_NICAT; 5EAS2_NICAT; 5EAS3_NICAT; 5EAS4_NICAT; 5EAS_CAPAN; 5EAS_TOBAC; ACSS_MAIZE; AFS1_MALDO; AFSY1_CUCME; AMS1_ARTAN; CARS_ARTAN; CLDS_CISCR; COP3_COPC7; COP4_COPC7; COX10_ARATH; COX10_ASHGO; COX10_ASPFU; COX10_CANGA; COX10_DEBHA; COX10_DICDI; COX1 ChEBI
UniProt Database Links 5EAS1_NICAT; 5EAS2_NICAT; 5EAS3_NICAT; 5EAS4_NICAT; 5EAS_CAPAN; 5EAS_TOBAC; ACSS_MAIZE; AFS1_MALDO; AFSY1_CUCME; AMS1_ARTAN; CARS_ARTAN; COP3_COPC7; COP4_COPC7; CRTE_CYAPA; CRTE_ESCVU; CRTE_PANAN; CRTE_RHOCB; CRTE_RHOS4; CRTM_STAA3; CRTM_STAA8; CRTM_STAAB ChEBI
ALOGPS_SOLUBILITY 8.07e-02 g/l DrugBank-experimental
Reactome Database Links REACT_160269; REACT_163705; REACT_172644; REACT_9451; REACT_9512 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FDFT-3-E Squalene Synthetase (cluster #3 Of 4), Eukaryotic Eukaryotes 2600 0.33 Binding ≤ 10μM
FNTA-2-F Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #2 Of 2), Fungal Fungi 75 0.42 Binding ≤ 10μM
FNTB-2-F Protein Farnesyltransferase Beta Subunit (cluster #2 Of 2), Fungal Fungi 75 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FNTB_YEAST P22007 Protein Farnesyltransferase Beta Subunit, Yeast 75 0.42 Binding ≤ 1μM
FNTA_YEAST P29703 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Yeast 75 0.42 Binding ≤ 1μM
FNTB_YEAST P22007 Protein Farnesyltransferase Beta Subunit, Yeast 75 0.42 Binding ≤ 10μM
FNTA_YEAST P29703 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Yeast 75 0.42 Binding ≤ 10μM
FDFT_RAT Q02769 Squalene Synthetase, Rat 2600 0.33 Binding ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Cholesterol biosynthesis
Heme biosynthesis
Synthesis of Dolichyl-phosphate
Ubiquinol biosynthesis

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of gene expression by SREBF (SREBP)
Cholesterol biosynthesis
PPARA activates gene expression

Analogs ( Draw Identity 99% 90% 80% 70% )