NA

ID: ALA4872198

Chembl Id: CHEMBL4872198

PubChem CID: 164618663

Max Phase: Preclinical

Molecular Formula: C49H82N16O21S3

Molecular Weight: 1327.49

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)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O

Standard InChI:  InChI=1S/C49H82N16O21S3/c1-21(39(52)76)55-40(77)22(2)56-47(84)32(20-88)59-35(71)17-54-42(79)29(15-37(74)75)63-43(80)27(11-13-89-5)58-34(70)16-53-41(78)26(9-10-36(72)73)61-46(83)30(18-66)64-49(86)38(23(3)67)65-44(81)25(8-6-7-12-50)60-45(82)28(14-33(51)69)62-48(85)31(19-87)57-24(4)68/h21-23,25-32,38,66-67,87-88H,6-20,50H2,1-5H3,(H2,51,69)(H2,52,76)(H,53,78)(H,54,79)(H,55,77)(H,56,84)(H,57,68)(H,58,70)(H,59,71)(H,60,82)(H,61,83)(H,62,85)(H,63,80)(H,64,86)(H,65,81)(H,72,73)(H,74,75)/t21-,22-,23+,25-,26-,27-,28-,29-,30-,31-,32-,38-/m0/s1

Standard InChI Key:  UYPLRLHFXPBGPH-DGDGWKJJSA-N

Alternative Forms

1. Parent:

   

   ALA4872198

   ---

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: 1327.49

Molecular Weight (Monoisotopic): 1326.5003

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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