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Compound Detail

CHEMBL3923279

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CCOC(=O)N1[C@@H]2CC[C@@H]1CC(Nc1ncnc(Nc3ccc(S(C)(=O)=O)cc3F)c1[N+](=O)[O-])C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3923279
Phase Preclinical
Structure Type MOL
InChI Key GVXCITAAWXEXBX-ZIAGYGMSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

508.5
MW (Da)
3.23
ALogP
10
HBA
2
HBD
156.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25FN6O6S
MW 508.53
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
27825553 10.1016/j.bmc.2016.10.030 Glucose-dependent insulinotropic receptor 2

Data from ChEMBL 36 via Core Engine