ID: ALA3932101

Max Phase: Preclinical

Molecular Formula: C21H19N3O

Molecular Weight: 329.40

Molecule Type: Small molecule

Associated Items:

Representations

Canonical SMILES:  Cc1cc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc2cccnc12

Standard InChI:  InChI=1S/C21H19N3O/c1-14-10-15(11-17-8-5-9-22-20(14)17)13-23-24-21(25)19-12-18(19)16-6-3-2-4-7-16/h2-11,13,18-19H,12H2,1H3,(H,24,25)/b23-13+/t18-,19+/m0/s1

Standard InChI Key:  WVMUMGJCMIBIHB-VKCZAOEGSA-N

Associated Targets(Human)

Transient receptor potential cation channel subfamily M member 5 264 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Transient receptor potential cation channel subfamily M member 5 10 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Transient receptor potential cation channel, subfamily M, member 5 2 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: 329.40Molecular Weight (Monoisotopic): 329.1528AlogP: 3.80#Rotatable Bonds: 4
Polar Surface Area: 54.35Molecular Species: NEUTRALHBA: 3HBD: 1
#RO5 Violations: 0HBA (Lipinski): 4HBD (Lipinski): 1#RO5 Violations (Lipinski): 0
CX Acidic pKa: 11.82CX Basic pKa: 4.37CX LogP: 3.98CX LogD: 3.98
Aromatic Rings: 3Heavy Atoms: 25QED Weighted: 0.58Np Likeness Score: -1.28

References

1.  (2011)  Hydrazone compounds and their use, 

Source