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Compound Detail

CHEMBL4647897

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Cn1nccc1[C@H]1CCC[C@@H]1Oc1c(F)cc(S(=O)(=O)Nc2ccncn2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4647897
Phase Preclinical
Structure Type MOL
InChI Key GOFYWRNMHLBHEW-DYVFJYSZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
3.00
ALogP
7
HBA
1
HBD
99.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19F2N5O3S
MW 435.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
32392056 10.1021/acs.jmedchem.0c00259 No relevant target 3
32392056 10.1021/acs.jmedchem.0c00259 Sodium channel protein type 9 subunit alpha/beta-1/beta-2 2
32392056 10.1021/acs.jmedchem.0c00259 Sodium channel protein type 1 subunit alpha/beta-1/beta-2 1
32392056 10.1021/acs.jmedchem.0c00259 Sodium channel protein type 5 subunit alpha/beta-1/beta-2 1
32392056 10.1021/acs.jmedchem.0c00259 Voltage-gated inwardly rectifying potassium channel KCNH2 1
32392056 10.1021/acs.jmedchem.0c00259 ADMET 1
32392056 10.1021/acs.jmedchem.0c00259 Cytochrome P450 2C9 1
32392056 10.1021/acs.jmedchem.0c00259 Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine