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Compound Detail

CHEMBL4163068

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O=C(CN1CCC(Cn2cnc3ccccc32)CC1)Nc1nc2ccc(F)cc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4163068
Phase Preclinical
Structure Type MOL
InChI Key IRDOZTUDIUNURX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

423.5
MW (Da)
4.14
ALogP
6
HBA
1
HBD
63.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22FN5OS
MW 423.52
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -2.68

Literature References

PubMed DOI Target Context # Activities
29886326 10.1016/j.ejmech.2018.05.053 Unchecked 3

Data from ChEMBL 36 via Core Engine