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Compound Detail

CHEMBL4447936

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O=C1N/C(=N/c2ccc(F)cc2)S/C1=C1\C(=O)Nc2ccc(F)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4447936
Phase Preclinical
Structure Type MOL
InChI Key MLTPGPWPADYISS-YPKPFQOOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.3
MW (Da)
3.18
ALogP
4
HBA
2
HBD
70.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H9F2N3O2S
MW 357.34
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
31268308 10.1021/acs.jmedchem.9b00537 Mitogen-activated protein kinase 10 2

Data from ChEMBL 36 via Core Engine