ID: ALA4871816

Max Phase: Preclinical

Molecular Formula: C17H15N2NaO2

Molecular Weight: 280.33

Molecule Type: Unknown

Associated Items:

Representations

Canonical SMILES:  CC(C)Nc1cc2cc(C(=O)[O-])ccc2c2cnccc12.[Na+]

Standard InChI:  InChI=1S/C17H16N2O2.Na/c1-10(2)19-16-8-12-7-11(17(20)21)3-4-13(12)15-9-18-6-5-14(15)16;/h3-10,19H,1-2H3,(H,20,21);/q;+1/p-1

Standard InChI Key:  RFGGWHCDBKGDGX-UHFFFAOYSA-M

Associated Targets(Human)

Homeodomain-interacting protein kinase 2 1644 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Casein kinase II alpha 3512 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: UnknownTopical: 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: 280.33Molecular Weight (Monoisotopic): 280.1212AlogP: 3.91#Rotatable Bonds: 3
Polar Surface Area: 62.22Molecular Species: ACIDHBA: 3HBD: 2
#RO5 Violations: 0HBA (Lipinski): 4HBD (Lipinski): 2#RO5 Violations (Lipinski): 0
CX Acidic pKa: 2.67CX Basic pKa: 5.13CX LogP: 1.49CX LogD: -0.48
Aromatic Rings: 3Heavy Atoms: 21QED Weighted: 0.71Np Likeness Score: -0.38

References

1.  (2020)  Anti-cancer/anti-fibrosis compounds, 

Source