NA

ID: ALA3759033

Chembl Id: CHEMBL3759033

PubChem CID: 127026384

Max Phase: Preclinical

Molecular Formula: C71H107N19O12S2

Molecular Weight: 1482.89

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCNC(=O)[C@@H](N)CSCc2cccc(c2)CSC[C@@H](C(N)=O)NC(=O)CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC1=O

Standard InChI:  InChI=1S/C71H107N19O12S2/c1-44(2)35-52-65(98)88-54(38-46-21-9-4-10-22-46)67(100)86-51(26-17-33-82-71(77)78)69(102)90-34-18-27-57(90)68(101)85-50(25-16-32-81-70(75)76)64(97)89-55(39-58(73)91)63(96)80-31-14-6-12-29-60(93)84-56(61(74)94)43-104-41-48-24-15-23-47(36-48)40-103-42-49(72)62(95)79-30-13-5-11-28-59(92)83-53(66(99)87-52)37-45-19-7-3-8-20-45/h3-4,7-10,15,19-24,36,44,49-57H,5-6,11-14,16-18,25-35,37-43,72H2,1-2H3,(H2,73,91)(H2,74,94)(H,79,95)(H,80,96)(H,83,92)(H,84,93)(H,85,101)(H,86,100)(H,87,99)(H,88,98)(H,89,97)(H4,75,76,81)(H4,77,78,82)/t49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1

Standard InChI Key:  XJPPBLWOYKHMPA-WIVDLTSQSA-N

Alternative Forms

1. Parent:

   

   ALA3759033

   ---

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: 1482.89

Molecular Weight (Monoisotopic): 1481.7788

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References

1. Micewicz ED, Bahattab OS, Willars GB, Waring AJ, Navab M, Whitelegge JP, McBride WH, Ruchala P..  (2015)  Small lipidated anti-obesity compounds derived from neuromedin U.,  101  [PMID:26204509] [10.1016/j.ejmech.2015.07.020]

Source

Source(1):

• Scientific Literature