NA

ID: ALA4870480

Chembl Id: CHEMBL4870480

PubChem CID: 164619805

Max Phase: Preclinical

Molecular Formula: C52H86N16O23S2

Molecular Weight: 1367.48

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](C)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)[C@@H](C)O

Standard InChI:  InChI=1S/C52H86N16O23S2/c1-22(2)14-29(42(55)81)64-46(85)28(10-12-39(77)78)63-51(90)34(21-93)60-37(74)18-57-45(84)31(16-40(79)80)65-43(82)23(3)58-36(73)17-56-44(83)27(9-11-38(75)76)62-49(88)32(19-69)67-52(91)41(24(4)70)68-47(86)26(8-6-7-13-53)61-48(87)30(15-35(54)72)66-50(89)33(20-92)59-25(5)71/h22-24,26-34,41,69-70,92-93H,6-21,53H2,1-5H3,(H2,54,72)(H2,55,81)(H,56,83)(H,57,84)(H,58,73)(H,59,71)(H,60,74)(H,61,87)(H,62,88)(H,63,90)(H,64,85)(H,65,82)(H,66,89)(H,67,91)(H,68,86)(H,75,76)(H,77,78)(H,79,80)/t23-,24+,26-,27-,28-,29-,30-,31-,32-,33-,34-,41-/m0/s1

Standard InChI Key:  GMEZQSJJPRNIHA-UPWFYEOCSA-N

Alternative Forms

1. Parent:

   

   ALA4870480

   ---

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: 1367.48

Molecular Weight (Monoisotopic): 1366.5493

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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