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Compound Detail

CHEMBL4750072

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CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2CC(=O)N(C)C)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4750072
Phase Preclinical
Structure Type MOL
InChI Key TZTOOUJPKQXRIK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
1.74
ALogP
8
HBA
1
HBD
98.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26FN5O4
MW 407.45
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.91

Literature References

PubMed DOI Target Context # Activities
33540044 10.1016/j.bmcl.2021.127833 P2X purinoceptor 3 1

Data from ChEMBL 36 via Core Engine