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Compound Detail

CHEMBL4127192

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Cc1c(-c2ccnn2C)nnc(N2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4127192
Phase Preclinical
Structure Type MOL
InChI Key VINIPHTVJWOIAB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.4
MW (Da)
3.61
ALogP
6
HBA
0
HBD
67.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22F4N6O
MW 462.45
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.80

Literature References

PubMed DOI Target Context # Activities
29739714 10.1016/j.bmc.2018.04.058 Unchecked 2

Data from ChEMBL 36 via Core Engine