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Compound Detail

CHEMBL4853684

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CN(c1cc(N(C2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)ncn1)C1CCN(S(C)(=O)=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4853684
Phase Preclinical
Structure Type MOL
InChI Key MEDWQGXFIDOKGK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

536.6
MW (Da)
3.06
ALogP
8
HBA
0
HBD
99.2
PSA (Ų)
0.53
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H35F3N6O4S
MW 536.62
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
34010766 10.1016/j.bmc.2021.116208 Glucose-dependent insulinotropic receptor 1

Data from ChEMBL 36 via Core Engine