sodium 4-(2-(12-(2-(2-(3-chloro-4-(2-methoxy-4-(picolinamido)phenylcarbamoyl)phenylamino)-2-oxoethoxy)acetamido)dodecylamino)-2-oxoethoxy)-3'-((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yloxy)methyl)biphenyl-3-carboxylate

ID: ALA4748285

Chembl Id: CHEMBL4748285

PubChem CID: 162649185

Max Phase: Preclinical

Molecular Formula: C68H76ClN6NaO12

Molecular Weight: 1205.85

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccc(NC(=O)COCC(=O)NCCCCCCCCCCCCNC(=O)COc2ccc(-c3cccc(COc4cc5c(c(C)c4C)C(=O)C(C4CCCC4)C5)c3)cc2C(=O)[O-])cc1Cl.[Na+]

Standard InChI:  InChI=1S/C68H77ClN6O12.Na/c1-43-44(2)64-49(35-53(65(64)79)46-20-12-13-21-46)36-59(43)86-39-45-19-18-22-47(33-45)48-24-29-58(54(34-48)68(82)83)87-42-62(77)72-32-16-11-9-7-5-4-6-8-10-15-31-71-61(76)40-85-41-63(78)73-50-25-27-52(55(69)37-50)66(80)75-56-28-26-51(38-60(56)84-3)74-67(81)57-23-14-17-30-70-57;/h14,17-19,22-30,33-34,36-38,46,53H,4-13,15-16,20-21,31-32,35,39-42H2,1-3H3,(H,71,76)(H,72,77)(H,73,78)(H,74,81)(H,75,80)(H,82,83);/q;+1/p-1

Standard InChI Key:  LDQNWULLQWASQJ-UHFFFAOYSA-M

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: 1205.85

Molecular Weight (Monoisotopic): 1204.5288

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References

1. Fulton MG,Loch MT,Rodriguez AL,Lin X,Javitch JA,Conn PJ,Niswender CM,Lindsley CW.  (2020)  Synthesis and pharmacological evaluation of bivalent tethered ligands to target the mGlu heterodimeric receptor results in a compound with mGlu homodimer selectivity.,  30  (13): [PMID:32371100] [10.1016/j.bmcl.2020.127212]

Source

Source(1):

• Scientific Literature