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Compound Detail

CHEMBL3084482

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CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNc1ncnc(Nc3ccc(S(C)(=O)=O)cc3)c1[N+](=O)[O-])C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3084482
Phase Preclinical
Structure Type MOL
InChI Key PLILOTGLZKBWAX-VBUUOAMHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

532.6
MW (Da)
4.12
ALogP
10
HBA
2
HBD
156.7
PSA (Ų)
0.39
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 C24H32N6O6S
MW 532.62
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
23374864 10.1016/j.bmcl.2012.12.011 Glucose-dependent insulinotropic receptor 2

Data from ChEMBL 36 via Core Engine