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Compound Detail

CHEMBL2336754

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COc1cc2nc(Nc3ccc(S(C)(=O)=O)cc3)nc(N3CCC4CCC(C3)N4Cc3ccccc3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2336754
Phase Preclinical
Structure Type MOL
InChI Key KODPGXXJIKNGCP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

573.7
MW (Da)
5.04
ALogP
9
HBA
1
HBD
96.9
PSA (Ų)
0.31
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 C31H35N5O4S
MW 573.72
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -1.24

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