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Compound Detail

CHEMBL4165788

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N#Cc1ccc(N2CCOCC2)cc1Cn1c(N2CCC[C@@H](N)C2)nc2cc[nH]c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4165788
Phase Preclinical
Structure Type MOL
InChI Key CXOOUSDGIRUNML-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
1.41
ALogP
8
HBA
2
HBD
116.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N7O2
MW 433.52
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
29078995 10.1016/j.ejmech.2017.10.029 Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine