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Compound Detail

CHEMBL2336760

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COc1cc2nc(Nc3ccc(S(C)(=O)=O)cc3)nc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2336760
Phase Preclinical
Structure Type MOL
InChI Key PMNRPLNHHUMDRO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

558.7
MW (Da)
4.57
ALogP
10
HBA
1
HBD
129.2
PSA (Ų)
0.44
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 C27H34N4O7S
MW 558.66
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -1.10

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