(+/-)-6-Benzyl-3-(2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-chromen-7-yl)-1-methyl-4,6-dihydropyrido[4,3-d]-pyrimidine-2,7(1H,3H)-dione

ID: ALA4074763

Chembl Id: CHEMBL4074763

PubChem CID: 137649912

Max Phase: Preclinical

Molecular Formula: C30H27FN4O3

Molecular Weight: 510.57

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  Cc1cc2c(cc1N1Cc3cn(Cc4ccccc4)c(=O)cc3N(C)C1=O)OC(c1ncccc1F)CC2

Standard InChI:  InChI=1S/C30H27FN4O3/c1-19-13-21-10-11-26(29-23(31)9-6-12-32-29)38-27(21)14-24(19)35-18-22-17-34(16-20-7-4-3-5-8-20)28(36)15-25(22)33(2)30(35)37/h3-9,12-15,17,26H,10-11,16,18H2,1-2H3

Standard InChI Key:  FMFDDHKGNCBMGG-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA4074763

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Associated Targets(Human)

SNRNP200 Tchem U5 small nuclear ribonucleoprotein 200 kDa helicase (313 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: 510.57Molecular Weight (Monoisotopic): 510.2067AlogP: 5.38#Rotatable Bonds: 4
Polar Surface Area: 67.67Molecular Species: NEUTRALHBA: 5HBD:
#RO5 Violations: 2HBA (Lipinski): 7HBD (Lipinski): #RO5 Violations (Lipinski): 2
CX Acidic pKa: CX Basic pKa: 1.29CX LogP: 4.01CX LogD: 4.01
Aromatic Rings: 4Heavy Atoms: 38QED Weighted: 0.37Np Likeness Score: -0.59

References

1. Iwatani-Yoshihara M, Ito M, Klein MG, Yamamoto T, Yonemori K, Tanaka T, Miwa M, Morishita D, Endo S, Tjhen R, Qin L, Nakanishi A, Maezaki H, Kawamoto T..  (2017)  Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.,  60  (13): [PMID:28586220] [10.1021/acs.jmedchem.7b00461]

Source