Thiocillin I

ID: ALA5281573

Chembl Id: CHEMBL5281573

Max Phase: Preclinical

Molecular Formula: C48H49N13O10S6

Molecular Weight: 1160.40

Names and Identifiers

Canonical SMILES:  C/C=C1\NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2ccc(-c3nc(-c4nc(C(=O)N/C(=C/C)C(=O)NC[C@@H](C)O)cs4)cs3)nc2-c2csc(n2)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)[C@H](C(C)(C)O)NC(=O)c2csc1n2

Standard InChI:  InChI=1S/C48H49N13O10S6/c1-8-23(36(65)49-12-19(3)62)51-37(66)27-15-74-45(56-27)31-18-75-44(58-31)25-11-10-22-34(50-25)26-13-76-46(53-26)33(21(5)64)60-39(68)29-17-77-47(57-29)35(48(6,7)71)61-40(69)30-16-73-43(55-30)24(9-2)52-41(70)32(20(4)63)59-38(67)28-14-72-42(22)54-28/h8-11,13-21,32-33,35,62-64,71H,12H2,1-7H3,(H,49,65)(H,51,66)(H,52,70)(H,59,67)(H,60,68)(H,61,69)/b23-8+,24-9-/t19-,20-,21-,32+,33+,35-/m1/s1

Standard InChI Key:  FEORQDDAQBRWPT-JSMUUDFOSA-N

Alternative Forms

1. Parent:

   

   ALA5281573

   ---

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: 1160.40

Molecular Weight (Monoisotopic): 1159.2050

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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