Details of the Drug

General Information of Drug (ID: DMSQRXW)

Drug Name
SQ-32709
Synonyms
farnesyl diphosphate; farnesyl pyrophosphate; (2E,6E)-Farnesyl diphosphate; trans,trans-Farnesyl diphosphate; all-trans-Farnesyl pyrophosphate; (all-E)-Farnesyl diphosphate; (E,E)-Farnesyl pyrophosphate; (2E,6E)-Farnesyl pyrophosphate; trans-Farnesyl pyrophosphate; 2-trans,6-trans-Farnesyl pyrophosphate; farnesyl-PP; (E,E)-Farnesyl diphosphate; 2-trans,6-trans-farnesyl diphosphate; trans-trans-farnesyl diphosphate; UNII-79W6B01D07; CHEBI:17407; trans,trans-Farnesyl pyrophosphate; Sq 32709; 13058-04-3; CHEMBL69330
Indication
Disease Entry ICD 11 Status REF
Arteriosclerosis BD40 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 382.33
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C15H28O7P2
IUPAC Name
phosphono [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
Canonical SMILES
CC(=CCC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)C
InChI
InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+
InChIKey
VWFJDQUYCIWHTN-YFVJMOTDSA-N
Cross-matching ID
PubChem CID
445713
ChEBI ID
CHEMBL69330
CAS Number
372-97-4
UNII
79W6B01D07
DrugBank ID
DB07780
TTD ID
D0N5HO
INTEDE ID
DR1927
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Squalene synthetase (FDFT1) TTFQEO5 FDFT_HUMAN Modulator [2]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Ras proteins prenyltransferase alpha (FNTA) DEFNVD7 FNTA_HUMAN Substrate [3]
Squalene synthase (FDFT1) DEIDTHQ FDFT_HUMAN Substrate [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Arteriosclerosis
ICD Disease Classification BD40
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Squalene synthetase (FDFT1) DTT FDFT1 7.85E-01 -0.09 -0.38
Squalene synthase (FDFT1) DME FDFT1 7.85E-01 -9.18E-02 -3.76E-01
Ras proteins prenyltransferase alpha (FNTA) DME FNTA 6.96E-05 6.61E-01 1.40E+00
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800005302)
2 Clinical pharmacokinetics and pharmacodynamics of a new squalene synthase inhibitor, BMS-188494, in healthy volunteers. J Clin Pharmacol. 1998 Dec;38(12):1116-21.
3 Site-selective enzymatic labeling of designed ankyrin repeat proteins using protein farnesyltransferase. Methods Mol Biol. 2019;2033:207-219.
4 Increased activity of the sterol branch of the mevalonate pathway elevates glycosylation of secretory proteins and improves antifungal properties of Trichoderma atroviride. Fungal Genet Biol. 2020 Jan 17;137:103334.