ID: ALA5281778

Chembl Id: CHEMBL5281778

Max Phase: Preclinical

Molecular Formula: C40H37BF2N8O7

Molecular Weight: 790.59

Names and Identifiers

Canonical SMILES:  CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F

Standard InChI:  InChI=1S/C40H37BF2N8O7/c1-21-15-23(3)51-37(21)34(38-44-22(2)19-50(38)41(51,42)43)25-8-10-27(11-9-25)57-14-12-49-20-26(47-48-49)7-5-6-13-58-33-18-31(40(55)56)46-36-24(4)35-28(16-29(33)36)32(52)17-30(45-35)39(53)54/h8-11,15-20H,5-7,12-14H2,1-4H3,(H,45,52)(H,53,54)(H,55,56)

Standard InChI Key:  OZMINXGQAXYZSF-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5281778

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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: 790.59

Molecular Weight (Monoisotopic): 790.2846

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References

1. Wei L, Xiang K, Kang H, Yu Y, Fan H, Zhou H, Hou T, Ge Y, Wang J, Guo Z, Chen Y, Zhao Y, Liang X..  (2023)  Development and Characterization of Fluorescent Probes for the G Protein-Coupled Receptor 35.,  14  (4): [PMID:37077394] [10.1021/acsmedchemlett.2c00461]

Source

Source(1):

• Scientific Literature