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Compound Detail

CHEMBL3105167

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COc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3105167
Phase Preclinical
Structure Type MOL
InChI Key RQCNVXWWTGYHKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
2.83
ALogP
6
HBA
2
HBD
106.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N3O5S
MW 427.48
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
24387866 10.1016/j.bmc.2013.12.028 Unchecked 1
24387866 10.1016/j.bmc.2013.12.028 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine