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Compound Detail

CHEMBL4852920

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N#CC1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)nc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4852920
Phase Preclinical
Structure Type MOL
InChI Key SKDZSRRQCPNGCB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

473.9
MW (Da)
5.77
ALogP
7
HBA
2
HBD
89.8
PSA (Ų)
0.49
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 C22H19ClF3N7
MW 473.89
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.89

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