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Compound Detail

CHEMBL4463840

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N#C/C(=C\C1CC1)C(=O)N1CCC[C@@H](n2nc(-c3cccc(C(F)(F)F)c3)c3c(N)ncnc32)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4463840
Phase Preclinical
Structure Type MOL
InChI Key BSNIWEVTXGVSRH-QJKHOBJASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

481.5
MW (Da)
4.12
ALogP
7
HBA
1
HBD
113.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22F3N7O
MW 481.48
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
31083997 10.1021/acs.jmedchem.9b00472 Unchecked 3

Data from ChEMBL 36 via Core Engine