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Compound Detail

CHEMBL4064042

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CCN(CC)CC(=O)Nc1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4064042
Phase Preclinical
Structure Type MOL
InChI Key VDFLHYZGFJVXOC-YBEGLDIGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
3.54
ALogP
3
HBA
3
HBD
77.2
PSA (Ų)
0.67
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 C21H25FN4O2
MW 384.46
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
28038328 10.1016/j.ejmech.2016.12.038 MV4-11 1

Data from ChEMBL 36 via Core Engine