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Compound Detail

CHEMBL5197906

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CC(C)(C)CNC(=S)Nc1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5197906
Phase Preclinical
Structure Type MOL
InChI Key QFHBCQDCRSSNQH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
4.36
ALogP
2
HBA
2
HBD
44.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24FN3OS
MW 385.51
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -2.17

Literature References

PubMed DOI Target Context # Activities
36318728 10.1021/acs.jmedchem.2c00817 Polyunsaturated fatty acid 5-lipoxygenase 2
36318728 10.1021/acs.jmedchem.2c00817 Bifunctional epoxide hydrolase 2 1

Data from ChEMBL 36 via Core Engine