NA

ID: ALA4847975

Chembl Id: CHEMBL4847975

PubChem CID: 164617204

Max Phase: Preclinical

Molecular Formula: C51H83N15O23S3

Molecular Weight: 1370.51

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](C)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/C51H83N15O23S3/c1-21(2)13-28(41(53)79)62-45(83)26(8-10-38(75)76)61-50(88)33(20-91)59-36(72)17-55-44(82)30(15-39(77)78)64-46(84)27(11-12-92-6)58-35(71)16-54-43(81)25(7-9-37(73)74)60-48(86)31(18-67)65-51(89)40(23(4)68)66-42(80)22(3)56-47(85)29(14-34(52)70)63-49(87)32(19-90)57-24(5)69/h21-23,25-33,40,67-68,90-91H,7-20H2,1-6H3,(H2,52,70)(H2,53,79)(H,54,81)(H,55,82)(H,56,85)(H,57,69)(H,58,71)(H,59,72)(H,60,86)(H,61,88)(H,62,83)(H,63,87)(H,64,84)(H,65,89)(H,66,80)(H,73,74)(H,75,76)(H,77,78)/t22-,23+,25-,26-,27-,28-,29-,30-,31-,32-,33-,40-/m0/s1

Standard InChI Key:  KEHAULBGASTXOH-WRUREBDJSA-N

Alternative Forms

1. Parent:

   

   ALA4847975

   ---

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: 1370.51

Molecular Weight (Monoisotopic): 1369.4948

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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