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Compound Detail

CHEMBL3966031

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CS(=O)(=O)c1ccc(Nc2ncnc(OC3C[C@H]4CC[C@H](C3)N4C(=O)OCC3CC3)c2[N+](=O)[O-])c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3966031
Phase Preclinical
Structure Type MOL
InChI Key XCVJFKBEJKZIRB-HUUCEWRRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

535.5
MW (Da)
3.59
ALogP
10
HBA
1
HBD
153.9
PSA (Ų)
0.39
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 C23H26FN5O7S
MW 535.55
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -1.33

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