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Compound Detail

CHEMBL4861328

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Cc1noc(C)c1-c1ccc(Nc2ncc(Cl)c(Nc3cccc(C(F)(F)F)c3)n2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4861328
Phase Preclinical
Structure Type MOL
InChI Key UHQMOPPHCWDJBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

460.9
MW (Da)
6.30
ALogP
7
HBA
2
HBD
88.8
PSA (Ų)
0.36
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 C21H16ClF3N6O
MW 460.85
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.76

Literature References

PubMed DOI Target Context # Activities
34374541 10.1021/acs.jmedchem.1c00104 Dipeptidyl peptidase 1 3
34374541 10.1021/acs.jmedchem.1c00104 L02 1

Data from ChEMBL 36 via Core Engine