ID: ALA5279421

Max Phase: Preclinical

Molecular Formula: C27H24F3N7O3Se

Molecular Weight: 630.49

Representations

Canonical SMILES:  C=C(C(=O)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)[se]2)nn1)c1cccc(OC(F)(F)F)c1

Standard InChI:  InChI=1S/C27H24F3N7O3Se/c1-17(18-7-6-10-21(15-18)40-27(28,29)30)25(39)32-22-13-12-19(34-35-22)8-2-3-11-24-36-37-26(41-24)33-23(38)16-20-9-4-5-14-31-20/h4-7,9-10,12-15H,1-3,8,11,16H2,(H,32,35,39)(H,33,37,38)

Standard InChI Key:  MKXBOSQBRZZJNB-UHFFFAOYSA-N

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

Properties

Molecular Weight: 630.49

Molecular Weight (Monoisotopic): 631.1058

AlogP:

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References

1. Song J, Pan C, Li J, Bai R, Zeng Z, Han Y, Chen Z, Hou W, Li Y, Ruan BH..  (2023)  Synthesis of Novel Kidney-Type Glutaminase Allosteric Inhibitors Targeting the Critical Lys-320 Residue.,  14  (1.0): [PMID:36655131] [10.1021/acsmedchemlett.2c00302]

Source

Source(1):

• Scientific Literature