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Compound Detail

CHEMBL2158415

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COc1cc([C@H]2C[C@]2(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)O)ccc1OC(=O)c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2158415
Phase Preclinical
Structure Type MOL
InChI Key LBOBTSAFAAPCBZ-WHLCRQNOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

552.6
MW (Da)
5.06
ALogP
8
HBA
3
HBD
140.3
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28N2O8S
MW 552.61
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.71

Literature References

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

Data from ChEMBL 36 via Core Engine