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Compound Detail

CHEMBL3894674

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CS(=O)(=O)c1ccc(Nc2ncnc(NC3C[C@H]4CC[C@H](C3)N4S(C)(=O)=O)c2[N+](=O)[O-])c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3894674
Phase Preclinical
Structure Type MOL
InChI Key CIELFWMLAZJNMV-CHWSQXEVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

514.6
MW (Da)
2.04
ALogP
10
HBA
2
HBD
164.5
PSA (Ų)
0.41
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 C19H23FN6O6S2
MW 514.56
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.43

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