ID: ALA2140637

Max Phase: Preclinical

Molecular Formula: C10H12FN2O5P

Molecular Weight: 290.19

Molecule Type: Small molecule

Associated Items:

Representations

Canonical SMILES:  CC1([N+](=O)[O-])COP(=O)(Nc2ccccc2F)OC1

Standard InChI:  InChI=1S/C10H12FN2O5P/c1-10(13(14)15)6-17-19(16,18-7-10)12-9-5-3-2-4-8(9)11/h2-5H,6-7H2,1H3,(H,12,16)

Standard InChI Key:  OENVNHVPLLUXJO-UHFFFAOYSA-N

Associated Targets(Human)

Werner syndrome ATP-dependent helicase 8824 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Guanine nucleotide-binding protein G(s), subunit alpha 103405 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Rap guanine nucleotide exchange factor 3 15528 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Properties

Molecular Weight: 290.19Molecular Weight (Monoisotopic): 290.0468AlogP: 2.43#Rotatable Bonds: 3
Polar Surface Area: 90.70Molecular Species: NEUTRALHBA: 5HBD: 1
#RO5 Violations: 0HBA (Lipinski): 7HBD (Lipinski): 1#RO5 Violations (Lipinski): 0
CX Acidic pKa: 8.75CX Basic pKa: CX LogP: 1.21CX LogD: 1.19
Aromatic Rings: 1Heavy Atoms: 19QED Weighted: 0.52Np Likeness Score: -0.63

References

1. PubChem BioAssay data set, 

Source

Source(1):