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Compound Detail

CHEMBL4166944

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CCOC(=O)c1cnn(-c2ccc(-n3cc(-c4cccc(S(N)(=O)=O)c4)nn3)cc2)c1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4166944
Phase Preclinical
Structure Type MOL
InChI Key RKDWEWOBTJAGKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

506.5
MW (Da)
2.96
ALogP
9
HBA
1
HBD
135.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17F3N6O4S
MW 506.47
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -2.14

Literature References

PubMed DOI Target Context # Activities
30347159 10.1021/acs.jmedchem.8b01512 Short transient receptor potential channel 1 & 3/Stromal interaction molecule 1/Calcium release-activated calcium channel protein 1 2
30347159 10.1021/acs.jmedchem.8b01512 Unchecked 1
30347159 10.1021/acs.jmedchem.8b01512 ADMET 1

Data from ChEMBL 36 via Core Engine