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Compound Detail

CHEMBL4648514

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C[C@@H]1CN(c2snc3ccc(-c4ccc(C(F)(F)F)cc4)nc23)C[C@H](C)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4648514
Phase Preclinical
Structure Type MOL
InChI Key KONJYHGTHFHAJZ-TXEJJXNPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
4.99
ALogP
5
HBA
0
HBD
38.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18F3N3OS
MW 393.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
31757682 10.1016/j.bmc.2019.115188 Cyclin-G-associated kinase 1

Data from ChEMBL 36 via Core Engine