NA

ID: ALA4864995

Chembl Id: CHEMBL4864995

PubChem CID: 164624070

Max Phase: Preclinical

Molecular Formula: C52H88N16O21S3

Molecular Weight: 1369.57

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](CC(C)C)C(N)=O

Standard InChI:  InChI=1S/C52H88N16O21S3/c1-23(2)15-30(42(55)79)64-43(80)24(3)58-50(87)35(22-91)61-38(74)19-57-45(82)32(17-40(77)78)66-46(83)29(12-14-92-6)60-37(73)18-56-44(81)28(10-11-39(75)76)63-49(86)33(20-69)67-52(89)41(25(4)70)68-47(84)27(9-7-8-13-53)62-48(85)31(16-36(54)72)65-51(88)34(21-90)59-26(5)71/h23-25,27-35,41,69-70,90-91H,7-22,53H2,1-6H3,(H2,54,72)(H2,55,79)(H,56,81)(H,57,82)(H,58,87)(H,59,71)(H,60,73)(H,61,74)(H,62,85)(H,63,86)(H,64,80)(H,65,88)(H,66,83)(H,67,89)(H,68,84)(H,75,76)(H,77,78)/t24-,25+,27-,28-,29-,30-,31-,32-,33-,34-,35-,41-/m0/s1

Standard InChI Key:  PZKMNYZJCFCLQR-KXLQNPBHSA-N

Alternative Forms

1. Parent:

   

   ALA4864995

   ---

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: 1369.57

Molecular Weight (Monoisotopic): 1368.5472

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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