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Compound Detail

CHEMBL3105166

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Cn1ccc(-c2cccc(S(=O)(=O)NCc3ccc(C(=O)Nc4cccnc4)cc3)c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3105166
Phase Preclinical
Structure Type MOL
InChI Key DWOXNOCAQGIQHR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
3.21
ALogP
6
HBA
2
HBD
106.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N5O3S
MW 447.52
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -2.23

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