LOZILUREA

ID: ALA1720937

Max Phase: Phase

Molecular Formula: C10H13ClN2O

Molecular Weight: 212.68

Molecule Type: Small molecule

Associated Items:

Representations

Canonical SMILES:  CCNC(=O)NCc1cccc(Cl)c1

Standard InChI:  InChI=1S/C10H13ClN2O/c1-2-12-10(14)13-7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3,(H2,12,13,14)

Standard InChI Key:  ATMWYLVZVAXVDZ-UHFFFAOYSA-N

Associated Targets(non-human)

6-phospho-1-fructokinase 7870 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: YesAvailability: 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: 212.68Molecular Weight (Monoisotopic): 212.0716AlogP: 2.16#Rotatable Bonds: 3
Polar Surface Area: 41.13Molecular Species: NEUTRALHBA: 1HBD: 2
#RO5 Violations: 0HBA (Lipinski): 3HBD (Lipinski): 2#RO5 Violations (Lipinski): 0
CX Acidic pKa: CX Basic pKa: CX LogP: 1.77CX LogD: 1.77
Aromatic Rings: 1Heavy Atoms: 14QED Weighted: 0.79Np Likeness Score: -2.13

References

1. PubChem BioAssay data set, 
2. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date, 
3. PubChem BioAssay data set,