NA

ID: ALA4847646

Chembl Id: CHEMBL4847646

PubChem CID: 164611562

Max Phase: Preclinical

Molecular Formula: C54H90N16O22S3

Molecular Weight: 1411.60

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CSCC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)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)NCC(=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/C54H90N16O22S3/c1-24(2)17-32(44(57)82)67-48(86)30(11-13-41(78)79)66-53(91)36(23-94)63-39(75)21-59-47(85)34(19-42(80)81)69-49(87)31(14-16-95-6)62-38(74)20-58-46(84)29(10-12-40(76)77)64-45(83)25(3)60-54(92)43(26(4)71)70-50(88)28(9-7-8-15-55)65-51(89)33(18-37(56)73)68-52(90)35(22-93)61-27(5)72/h24-26,28-36,43,71,93-94H,7-23,55H2,1-6H3,(H2,56,73)(H2,57,82)(H,58,84)(H,59,85)(H,60,92)(H,61,72)(H,62,74)(H,63,75)(H,64,83)(H,65,89)(H,66,91)(H,67,86)(H,68,90)(H,69,87)(H,70,88)(H,76,77)(H,78,79)(H,80,81)/t25-,26+,28-,29-,30-,31-,32-,33-,34-,35-,36-,43-/m0/s1

Standard InChI Key:  LCJZYQBHBXJFNC-HVTYDFGTSA-N

Alternative Forms

1. Parent:

   

   ALA4847646

   ---

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: 1411.60

Molecular Weight (Monoisotopic): 1410.5578

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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