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

ID: ALA4777845

Chembl Id: CHEMBL4777845

PubChem CID: 162644102

Max Phase: Preclinical

Molecular Formula: C61H62ClN6NaO12

Molecular Weight: 1107.66

Molecule Type: Unknown

Names and Identifiers

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

Standard InChI:  InChI=1S/C61H63ClN6O12.Na/c1-36-37(2)57-42(28-46(58(57)72)39-13-5-6-14-39)29-52(36)79-32-38-12-11-15-40(26-38)41-17-22-51(47(27-41)61(75)76)80-35-55(70)65-25-9-4-8-24-64-54(69)33-78-34-56(71)66-43-18-20-45(48(62)30-43)59(73)68-49-21-19-44(31-53(49)77-3)67-60(74)50-16-7-10-23-63-50;/h7,10-12,15-23,26-27,29-31,39,46H,4-6,8-9,13-14,24-25,28,32-35H2,1-3H3,(H,64,69)(H,65,70)(H,66,71)(H,67,74)(H,68,73)(H,75,76);/q;+1/p-1

Standard InChI Key:  DROPZJHGDMUHCL-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: 1107.66

Molecular Weight (Monoisotopic): 1106.4192

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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