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Compound Detail

CHEMBL4203492

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O=C(N/N=C/c1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4203492
Phase Preclinical
Structure Type MOL
InChI Key HRKPCPSFKPVQFN-SFQUDFHCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
1.06
ALogP
6
HBA
1
HBD
101.2
PSA (Ų)
0.63
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 C16H17N3O5S
MW 363.39
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -2.61

Literature References

PubMed DOI Target Context # Activities
29475156 10.1016/j.ejmech.2018.02.033 SMMC-7721 1
29475156 10.1016/j.ejmech.2018.02.033 EC9706 1
29475156 10.1016/j.ejmech.2018.02.033 ECa-109 cell line 1
29475156 10.1016/j.ejmech.2018.02.033 MGC-803 1
29475156 10.1016/j.ejmech.2018.02.033 MCF7 1
29475156 10.1016/j.ejmech.2018.02.033 PC-3 1

Data from ChEMBL 36 via Core Engine