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Compound Detail

CHEMBL2336767

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COc1cc2nc(OCC3CCN(C(=O)OC(C)(C)C)CC3)nc(Nc3ccc(S(C)(=O)=O)cc3F)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2336767
Phase Preclinical
Structure Type MOL
InChI Key VOSSCWPOBXNNMJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

590.7
MW (Da)
4.96
ALogP
10
HBA
1
HBD
129.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H35FN4O7S
MW 590.67
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
23357035 10.1016/j.bmc.2012.12.013 Glucose-dependent insulinotropic receptor 2

Data from ChEMBL 36 via Core Engine