2-(4-(4-(2-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-ylamino)-3-(trifluoromethyl)phenyl)acetamide

ID: ALA4545021

PubChem CID: 155553024

Max Phase: Preclinical

Molecular Formula: C23H21F3N4O2

Molecular Weight: 442.44

Molecule Type: Unknown

This compound is available for customization.

Associated Items:

Names and Identifiers

Canonical SMILES:  COc1ccccc1-c1nnc(Nc2ccc(CC(N)=O)cc2C(F)(F)F)c2c1CCC2

Standard InChI:  InChI=1S/C23H21F3N4O2/c1-32-19-8-3-2-5-16(19)21-14-6-4-7-15(14)22(30-29-21)28-18-10-9-13(12-20(27)31)11-17(18)23(24,25)26/h2-3,5,8-11H,4,6-7,12H2,1H3,(H2,27,31)(H,28,30)

Standard InChI Key:  TUMNRFFXSPDYTK-UHFFFAOYSA-N

Molfile:  

 
     RDKit          2D

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M  END

Alternative Forms

  1. Parent:

    ALA4545021

    ---

Associated Targets(non-human)

Slc2a4 Solute carrier family 2, facilitated glucose transporter member 4 (143 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

Calculated Properties

Molecular Weight: 442.44Molecular Weight (Monoisotopic): 442.1617AlogP: 4.43#Rotatable Bonds: 6
Polar Surface Area: 90.13Molecular Species: NEUTRALHBA: 5HBD: 2
#RO5 Violations: HBA (Lipinski): 6HBD (Lipinski): 3#RO5 Violations (Lipinski):
CX Acidic pKa: 13.08CX Basic pKa: 3.08CX LogP: 4.40CX LogD: 4.40
Aromatic Rings: 3Heavy Atoms: 32QED Weighted: 0.59Np Likeness Score: -1.06

References

1. Tsuji T, Yamaguchi M, Kuroyanagi J, Furuzono S, Konishi M, Terayama K, Tanaka J, Saito M, Kobayashi Y..  (2019)  Discovery of novel pyridazine derivatives as glucose transporter type 4 (GLUT4) translocation activators.,  29  (14): [PMID:31101471] [10.1016/j.bmcl.2019.05.013]

Source