NA

ID: ALA4859312

Chembl Id: CHEMBL4859312

PubChem CID: 164617026

Max Phase: Preclinical

Molecular Formula: C55H92N16O23S3

Molecular Weight: 1441.63

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CSCC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O

Standard InChI:  InChI=1S/C55H92N16O23S3/c1-24(2)17-32(44(58)83)66-47(86)30(11-13-41(79)80)65-54(93)37(23-96)70-45(84)25(3)60-50(89)34(19-42(81)82)68-48(87)31(14-16-97-6)62-39(76)20-59-46(85)29(10-12-40(77)78)64-52(91)35(21-72)69-55(94)43(26(4)73)71-49(88)28(9-7-8-15-56)63-51(90)33(18-38(57)75)67-53(92)36(22-95)61-27(5)74/h24-26,28-37,43,72-73,95-96H,7-23,56H2,1-6H3,(H2,57,75)(H2,58,83)(H,59,85)(H,60,89)(H,61,74)(H,62,76)(H,63,90)(H,64,91)(H,65,93)(H,66,86)(H,67,92)(H,68,87)(H,69,94)(H,70,84)(H,71,88)(H,77,78)(H,79,80)(H,81,82)/t25-,26+,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,43-/m0/s1

Standard InChI Key:  RCSVSQHUIBFWHU-XZFFDMQFSA-N

Alternative Forms

1. Parent:

   

   ALA4859312

   ---

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: 1441.63

Molecular Weight (Monoisotopic): 1440.5683

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References

1.  (2015)  Antagonistic peptides for frizzled-1 and frizzled-2, 

2.  (2013)  Antagonistic peptides for frizzled-1 and frizzled-2, 

Source

Source(1):

• Patent Bioactivity Data