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Compound Detail

CHEMBL4751103

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c1cc2nc(N3CCOCC3)cc(Nc3cc[nH]n3)n2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4751103
Phase Preclinical
Structure Type MOL
InChI Key WQOSPJWSJJMABW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
1.03
ALogP
7
HBA
2
HBD
83.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15N7O
MW 285.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -2.55

Literature References

PubMed DOI Target Context # Activities
32987315 10.1016/j.ejmech.2020.112850 Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine