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Compound Detail

CHEMBL2158401

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COc1cc([C@H]2[C@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H](c3ccc(NC(C)=O)c(OC)c3)[C@]2(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)O)ccc1NC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2158401
Phase Preclinical
Structure Type MOL
InChI Key ZGKVMENQUUSSGK-WSURUOAESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

939.0
MW (Da)
6.70
ALogP
12
HBA
8
HBD
286.1
PSA (Ų)
0.07
QED
4
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H54N6O14
MW 938.99
Aromatic Rings 4
Heavy Atoms 68
NP-Likeness -0.38

Literature References

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

Data from ChEMBL 36 via Core Engine