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Compound Detail

CHEMBL4161542

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O=C1NC(c2c[nH]nc2-c2ccccc2)Nc2c(F)cc(F)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4161542
Phase Preclinical
Structure Type MOL
InChI Key QWAOGWBBGPTQIO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
3.21
ALogP
3
HBA
3
HBD
69.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12F2N4O
MW 326.31
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
29723786 10.1016/j.ejmech.2018.04.045 Transient receptor potential cation channel subfamily M member 2 3

Data from ChEMBL 36 via Core Engine