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Compound Detail

CHEMBL4647248

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O=C(NC1CN(C2CN(C(=O)c3sc4cc(C(F)(F)F)ccc4c3Cl)C2)C1)c1nccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4647248
Phase Preclinical
Structure Type MOL
InChI Key OQJXRSOQCVCYFK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

501.0
MW (Da)
3.97
ALogP
6
HBA
1
HBD
65.5
PSA (Ų)
0.59
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16ClF3N4O2S2
MW 500.96
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.85

Literature References

PubMed DOI Target Context # Activities
32334914 10.1016/j.bmcl.2020.127198 ADMET 3
32334914 10.1016/j.bmcl.2020.127198 Monoglyceride lipase 1
32334914 10.1016/j.bmcl.2020.127198 Unchecked 1

Data from ChEMBL 36 via Core Engine