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Compound Detail

CHEMBL3416234

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O=c1c(CNc2ccc(S(=O)(=O)Nc3ccccn3)cc2)coc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3416234
Phase Preclinical
Structure Type MOL
InChI Key PTBIYRCIMYFLLK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
3.60
ALogP
6
HBA
2
HBD
101.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3O4S
MW 407.45
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
25912674 10.1016/j.ejmech.2015.04.033 A549 1
25912674 10.1016/j.ejmech.2015.04.033 MCF7 1

Data from ChEMBL 36 via Core Engine