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Compound Detail

CHEMBL3260510

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CCOC(=O)C(C)(Cc1ccc(S(C)(=O)=O)cc1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3260510
Phase Preclinical
Structure Type MOL
InChI Key VDNHQORIQOKFQK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

498.0
MW (Da)
4.52
ALogP
7
HBA
0
HBD
90.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24ClN3O4S
MW 498.00
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
24751443 10.1016/j.bmcl.2014.03.023 Glucose-dependent insulinotropic receptor 2

Data from ChEMBL 36 via Core Engine