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Compound Detail

CHEMBL4548453

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CC(=O)Oc1ccc(-c2cncn2C2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4548453
Phase Preclinical
Structure Type MOL
InChI Key ZFKVFSCZJVXRAB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

491.9
MW (Da)
5.62
ALogP
5
HBA
0
HBD
64.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21ClF3N3O3
MW 491.90
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
27427902 10.1021/acs.jmedchem.5b01690 P2X purinoceptor 7 1

Data from ChEMBL 36 via Core Engine