NA

ID: ALA4849595

Chembl Id: CHEMBL4849595

PubChem CID: 164617253

Max Phase: Preclinical

Molecular Formula: C53H90N16O20S3

Molecular Weight: 1367.60

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(C)=O)C(=O)N[C@@H](C)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/C53H90N16O20S3/c1-24(2)18-33(42(56)78)67-49(85)31(12-14-41(76)77)66-53(89)37(23-91)62-39(73)20-57-43(79)25(3)58-48(84)32(15-17-92-7)63-44(80)26(4)60-47(83)30(11-13-40(74)75)65-51(87)35(21-70)69-45(81)27(5)59-46(82)29(10-8-9-16-54)64-50(86)34(19-38(55)72)68-52(88)36(22-90)61-28(6)71/h24-27,29-37,70,90-91H,8-23,54H2,1-7H3,(H2,55,72)(H2,56,78)(H,57,79)(H,58,84)(H,59,82)(H,60,83)(H,61,71)(H,62,73)(H,63,80)(H,64,86)(H,65,87)(H,66,89)(H,67,85)(H,68,88)(H,69,81)(H,74,75)(H,76,77)/t25-,26-,27-,29-,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1

Standard InChI Key:  BPJKSMWBNAGVQJ-SSVHBDSISA-N

Alternative Forms

1. Parent:

   

   ALA4849595

   ---

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: 1367.60

Molecular Weight (Monoisotopic): 1366.5679

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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