Bernianamycin A

ID: ALA5273388

Chembl Id: CHEMBL5273388

Max Phase: Preclinical

Molecular Formula: C48H49N15O15S

Molecular Weight: 1108.08

Names and Identifiers

Canonical SMILES:  C=C(NC(=O)C(=C)NC(=O)c1ccc2c(n1)-c1coc(n1)C(=O)NC(=O)CNC(=O)c1coc(n1)C(=C)NC(=O)[C@H](C(C)(C)O)NC(=O)C(=O)NC(=O)c1nc(oc1C)/C(=C\C)NC[C@H](C(C)C)NC(=O)c1csc-2n1)C(N)=O

Standard InChI:  InChI=1S/C48H49N15O15S/c1-10-24-45-61-31(22(7)78-45)39(70)63-42(73)41(72)62-33(48(8,9)75)40(71)54-21(6)44-58-28(16-76-44)36(67)51-14-30(64)60-43(74)46-57-27(15-77-46)32-23(47-59-29(17-79-47)38(69)56-26(13-50-24)18(2)3)11-12-25(55-32)37(68)53-20(5)35(66)52-19(4)34(49)65/h10-12,15-18,26,33,50,75H,4-6,13-14H2,1-3,7-9H3,(H2,49,65)(H,51,67)(H,52,66)(H,53,68)(H,54,71)(H,56,69)(H,62,72)(H,60,64,74)(H,63,70,73)/b24-10+/t26-,33-/m1/s1

Standard InChI Key:  YWBUSVIHEBUTDL-KOHABJOFSA-N

Alternative Forms

1. Parent:

   

   ALA5273388

   ---

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: 1108.08

Molecular Weight (Monoisotopic): 1107.3253

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References

1. Sharma PC, Bansal KK, Sharma A, Sharma D, Deep A..  (2020)  Thiazole-containing compounds as therapeutic targets for cancer therapy.,  188  [PMID:31926469] [10.1016/j.ejmech.2019.112016]

Source

Source(1):

• Scientific Literature