ID: ALA1208864

Max Phase: Preclinical

Molecular Formula: C20H18N2O

Molecular Weight: 302.38

Molecule Type: Small molecule

Associated Items:

Representations

Canonical SMILES:  Cc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1C

Standard InChI:  InChI=1S/C20H18N2O/c1-14-7-8-16(11-15(14)2)13-21-22-20(23)19-10-9-17-5-3-4-6-18(17)12-19/h3-13H,1-2H3,(H,22,23)/b21-13+

Standard InChI Key:  MHRKDYLWSMFQKG-FYJGNVAPSA-N

Associated Targets(Human)

Dynamin-1 215 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: 302.38Molecular Weight (Monoisotopic): 302.1419AlogP: 4.22#Rotatable Bonds: 3
Polar Surface Area: 41.46Molecular Species: NEUTRALHBA: 2HBD: 1
#RO5 Violations: 0HBA (Lipinski): 3HBD (Lipinski): 1#RO5 Violations (Lipinski): 0
CX Acidic pKa: 10.67CX Basic pKa: 2.31CX LogP: 4.98CX LogD: 4.98
Aromatic Rings: 3Heavy Atoms: 23QED Weighted: 0.57Np Likeness Score: -1.49

References

1. Lee S, Jung KY, Park J, Cho JH, Kim YC, Chang S..  (2010)  Synthesis of potent chemical inhibitors of dynamin GTPase.,  20  (16): [PMID:20621477] [10.1016/j.bmcl.2010.06.092]

Source