3-(3-((3-((4-(4-(4-((3'-carbamoyl-[3,6'-biquinolin]-4'-yl)amino)-2-(trifluoromethyl)phenyl)piperazin-1-yl)-4-oxobutyl)amino)-N-methylpropyl)sulfonamido)benzyl)-4-methyl-2-oxo-2H-chromen-7-yl dimethylcarbamate

ID: ALA5286229

Chembl Id: CHEMBL5286229

Max Phase: Preclinical

Molecular Formula: C58H58F3N9O8S

Molecular Weight: 1098.22

Names and Identifiers

Canonical SMILES:  Cc1c(Cc2cccc(N(C)S(=O)(=O)CCCNCCCC(=O)N3CCN(c4ccc(Nc5c(C(N)=O)cnc6ccc(-c7cnc8ccccc8c7)cc56)cc4C(F)(F)F)CC3)c2)c(=O)oc2cc(OC(=O)N(C)C)ccc12

Standard InChI:  InChI=1S/C58H58F3N9O8S/c1-36-44-18-17-43(77-57(74)67(2)3)33-52(44)78-56(73)45(36)29-37-10-7-12-42(28-37)68(4)79(75,76)27-9-22-63-21-8-14-53(71)70-25-23-69(24-26-70)51-20-16-41(32-48(51)58(59,60)61)66-54-46-31-38(15-19-50(46)65-35-47(54)55(62)72)40-30-39-11-5-6-13-49(39)64-34-40/h5-7,10-13,15-20,28,30-35,63H,8-9,14,21-27,29H2,1-4H3,(H2,62,72)(H,65,66)

Standard InChI Key:  RSQAMAZGLIDGOS-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5286229

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1098.22

Molecular Weight (Monoisotopic): 1097.4081

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References

1. Van de Walle T, Cools L, Mangelinckx S, D'hooghe M..  (2021)  Recent contributions of quinolines to antimalarial and anticancer drug discovery research.,  226  [PMID:34655985] [10.1016/j.ejmech.2021.113865]

Source

Source(1):

• Scientific Literature