NA

ID: ALA4877748

Chembl Id: CHEMBL4877748

PubChem CID: 164628943

Max Phase: Preclinical

Molecular Formula: C54H90N16O23S2

Molecular Weight: 1395.54

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](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O

Standard InChI:  InChI=1S/C54H90N16O23S2/c1-24(2)17-32(44(57)83)66-48(87)30(11-13-41(79)80)63-45(84)25(3)60-38(75)20-59-47(86)34(19-42(81)82)68-49(88)31(14-16-95-6)62-39(76)21-58-46(85)29(10-12-40(77)78)65-52(91)35(22-71)69-54(93)43(26(4)72)70-50(89)28(9-7-8-15-55)64-51(90)33(18-37(56)74)67-53(92)36(23-94)61-27(5)73/h24-26,28-36,43,71-72,94H,7-23,55H2,1-6H3,(H2,56,74)(H2,57,83)(H,58,85)(H,59,86)(H,60,75)(H,61,73)(H,62,76)(H,63,84)(H,64,90)(H,65,91)(H,66,87)(H,67,92)(H,68,88)(H,69,93)(H,70,89)(H,77,78)(H,79,80)(H,81,82)/t25-,26+,28-,29-,30-,31-,32-,33-,34-,35-,36-,43-/m0/s1

Standard InChI Key:  MQYYTHGOLMWAHE-HVTYDFGTSA-N

Alternative Forms

1. Parent:

   

   ALA4877748

   ---

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: 1395.54

Molecular Weight (Monoisotopic): 1394.5806

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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