NA

ID: ALA4576489

Chembl Id: CHEMBL4576489

PubChem CID: 155552127

Max Phase: Preclinical

Molecular Formula: C50H56BF2N7O7

Molecular Weight: 915.85

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CO[C@@H]1[C@H](N(C)CCOCCOCCOCCNC(=O)CCC2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4

Standard InChI:  InChI=1S/C50H56BF2N7O7/c1-30-26-31(2)59-39(30)27-33-15-14-32(60(33)51(59,52)53)16-17-41(61)54-18-20-64-22-24-66-25-23-65-21-19-56(4)40-28-42-57-37-12-8-6-10-34(37)44-45-36(29-55-49(45)62)43-35-11-7-9-13-38(35)58(47(43)46(44)57)50(3,67-42)48(40)63-5/h6-15,26-27,40,42,48H,16-25,28-29H2,1-5H3,(H,54,61)(H,55,62)/t40-,42-,48-,50+/m1/s1

Standard InChI Key:  OSVUGUHRKMMBSE-INMRTLOZSA-N

Alternative Forms

1. Parent:

   

   ALA4576489

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 915.85

Molecular Weight (Monoisotopic): 915.4302

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References

1. Hirozane Y, Toyofuku M, Yogo T, Tanaka Y, Sameshima T, Miyahisa I, Yoshikawa M..  (2019)  Structure-based rational design of staurosporine-based fluorescent probe with broad-ranging kinase affinity for kinase panel application.,  29  (21): [PMID:31526603] [10.1016/j.bmcl.2019.126641]

Source

Source(1):

• Scientific Literature