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Compound Detail

CHEMBL4164227

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CCn1cc(NC(=O)c2c(F)cccc2F)c(C(=O)NCC(C)C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4164227
Phase Preclinical
Structure Type MOL
InChI Key DOEKNGPHJAXJFY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
2.82
ALogP
4
HBA
2
HBD
76.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20F2N4O2
MW 350.37
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.89

Literature References

PubMed DOI Target Context # Activities
30091915 10.1021/acs.jmedchem.8b00669 Unchecked 1

Data from ChEMBL 36 via Core Engine