sodium 4-(2-(10-(2-(2-(3-chloro-4-(2-methoxy-4-(picolinamido)phenylcarbamoyl)phenylamino)-2-oxoethoxy)acetamido)decylamino)-2-oxoethoxy)-3'-((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yloxy)methyl)biphenyl-3-carboxylate

ID: ALA4759458

Chembl Id: CHEMBL4759458

PubChem CID: 162657775

Max Phase: Preclinical

Molecular Formula: C66H72ClN6NaO12

Molecular Weight: 1177.79

Molecule Type: Unknown

Names and Identifiers

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

Standard InChI:  InChI=1S/C66H73ClN6O12.Na/c1-41-42(2)62-47(33-51(63(62)77)44-18-10-11-19-44)34-57(41)84-37-43-17-16-20-45(31-43)46-22-27-56(52(32-46)66(80)81)85-40-60(75)70-30-14-9-7-5-4-6-8-13-29-69-59(74)38-83-39-61(76)71-48-23-25-50(53(67)35-48)64(78)73-54-26-24-49(36-58(54)82-3)72-65(79)55-21-12-15-28-68-55;/h12,15-17,20-28,31-32,34-36,44,51H,4-11,13-14,18-19,29-30,33,37-40H2,1-3H3,(H,69,74)(H,70,75)(H,71,76)(H,72,79)(H,73,78)(H,80,81);/q;+1/p-1

Standard InChI Key:  KJIHGHNPMRWLQO-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: 1177.79

Molecular Weight (Monoisotopic): 1176.4975

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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