Ruthenium(II)-Arene PTA complex

ID: ALA193211

Chembl Id: CHEMBL193211

Max Phase: Preclinical

Molecular Formula: C15H23Cl2N3O2PRu+2

Molecular Weight: 480.32

Molecule Type: Small molecule

Associated Items:

Alternative Forms

Associated Targets(Human)

HBL-100 (746 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

TS/A (71 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

Calculated Properties

Molecular Weight: 480.32Molecular Weight (Monoisotopic): 479.9937AlogP: #Rotatable Bonds:
Polar Surface Area: Molecular Species: HBA: HBD:
#RO5 Violations: HBA (Lipinski): HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: CX LogP: CX LogD:
Aromatic Rings: Heavy Atoms: QED Weighted: Np Likeness Score:

References

1. Scolaro C, Bergamo A, Brescacin L, Delfino R, Cocchietto M, Laurenczy G, Geldbach TJ, Sava G, Dyson PJ..  (2005)  In vitro and in vivo evaluation of ruthenium(II)-arene PTA complexes.,  48  (12): [PMID:15943488] [10.1021/jm050015d]

Source