NA

ID: ALA4280419

Chembl Id: CHEMBL4280419

PubChem CID: 145981935

Max Phase: Preclinical

Molecular Formula: C57H82N2O15

Molecular Weight: 1035.28

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](OCc3cccc([N+](=O)[O-])c3)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O

Standard InChI:  InChI=1S/C57H82N2O15/c1-34-16-11-10-12-17-35(2)48(72-33-42-18-15-19-43(29-42)59(68)69)31-44-23-21-40(7)57(67,74-44)54(64)55(65)58-25-14-13-20-45(58)56(66)73-49(37(4)28-41-22-24-46(60)50(30-41)70-8)32-47(61)36(3)27-39(6)52(63)53(71-9)51(62)38(5)26-34/h10-12,15-19,27,29,34,36-38,40-41,44-46,48-50,52-53,60,63,67H,13-14,20-26,28,30-33H2,1-9H3/b12-10+,16-11+,35-17+,39-27+/t34-,36-,37-,38-,40-,41+,44+,45+,46-,48+,49+,50-,52-,53+,57-/m1/s1

Standard InChI Key:  TTYJRLAFJKGWNB-LYKUQKHPSA-N

Alternative Forms

1. Parent:

   

   ALA4280419

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1035.28

Molecular Weight (Monoisotopic): 1034.5715

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References

1. Guduru SKR, Arya P..  (2018)  Synthesis and biological evaluation of rapamycin-derived, next generation small molecules.,  9  (1): [PMID:30108899] [10.1039/C7MD00474E]

Source

Source(1):

• Scientific Literature