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Compound Detail

CHEMBL2336771

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COc1cc2nc(NCC3CC4CCC(C3)N4C(=O)OC(C)(C)C)nc(Nc3ccc(S(C)(=O)=O)cc3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2336771
Phase Preclinical
Structure Type MOL
InChI Key FZDXKZGIJAWHDX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

597.7
MW (Da)
5.38
ALogP
10
HBA
2
HBD
132.0
PSA (Ų)
0.35
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H39N5O6S
MW 597.74
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
23357035 10.1016/j.bmc.2012.12.013 Glucose-dependent insulinotropic receptor 2

Data from ChEMBL 36 via Core Engine