NA

ID: ALA4860112

Chembl Id: CHEMBL4860112

PubChem CID: 164617641

Max Phase: Preclinical

Molecular Formula: C53H90N16O21S3

Molecular Weight: 1383.60

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CSCC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](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](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/C53H90N16O21S3/c1-24(2)17-32(43(56)80)66-47(84)30(11-13-41(78)79)65-52(89)36(23-92)62-39(75)19-57-44(81)25(3)59-46(83)31(14-16-93-6)61-38(74)20-58-45(82)29(10-12-40(76)77)64-50(87)34(21-70)68-53(90)42(26(4)71)69-48(85)28(9-7-8-15-54)63-49(86)33(18-37(55)73)67-51(88)35(22-91)60-27(5)72/h24-26,28-36,42,70-71,91-92H,7-23,54H2,1-6H3,(H2,55,73)(H2,56,80)(H,57,81)(H,58,82)(H,59,83)(H,60,72)(H,61,74)(H,62,75)(H,63,86)(H,64,87)(H,65,89)(H,66,84)(H,67,88)(H,68,90)(H,69,85)(H,76,77)(H,78,79)/t25-,26+,28-,29-,30-,31-,32-,33-,34-,35-,36-,42-/m0/s1

Standard InChI Key:  LNAUURVMTNSCAU-YHSUZAANSA-N

Alternative Forms

1. Parent:

   

   ALA4860112

   ---

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: 1383.60

Molecular Weight (Monoisotopic): 1382.5629

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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