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Compound Detail

CHEMBL4091752

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O=C(/C=C/c1ccc(S(=O)(=O)Nc2cccc3[nH]ccc23)cc1)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4091752
Phase Preclinical
Structure Type MOL
InChI Key BONYGWWEAULLQW-RMKNXTFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
2.49
ALogP
4
HBA
4
HBD
111.3
PSA (Ų)
0.32
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N3O4S
MW 357.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
28395150 10.1016/j.ejmech.2017.03.079 PC-3 1
28395150 10.1016/j.ejmech.2017.03.079 A549 1
28395150 10.1016/j.ejmech.2017.03.079 Unchecked 1
28395150 10.1016/j.ejmech.2017.03.079 MDA-MB-231 1
28395150 10.1016/j.ejmech.2017.03.079 ASPC1 1

Data from ChEMBL 36 via Core Engine