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Compound Detail

CHEMBL235979

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CC(C)(C)Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc2cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL235979
Phase Preclinical
Structure Type MOL
InChI Key ZQLAFOQFBYMWKD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.8
MW (Da)
5.25
ALogP
5
HBA
2
HBD
73.6
PSA (Ų)
0.66
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17ClFN5
MW 369.83
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.76

Literature References

PubMed DOI Target Context # Activities
17664070 10.1016/j.bmc.2007.06.054 Unchecked 1

Data from ChEMBL 36 via Core Engine