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Compound Detail

CHEMBL2158396

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CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@]2(C(=O)O)[C@H](c3ccc(OCc4ccccc4)cc3)[C@@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2158396
Phase Preclinical
Structure Type MOL
InChI Key TVTNRUKWLXSNGW-SFYCTGIHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

977.1
MW (Da)
9.93
ALogP
10
HBA
6
HBD
227.9
PSA (Ų)
0.05
QED
3
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C56H56N4O12
MW 977.08
Aromatic Rings 6
Heavy Atoms 72
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
22103243 10.1021/jm201150j Glucagon-like peptide 1 receptor 5

Data from ChEMBL 36 via Core Engine