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Compound Detail

CHEMBL139233

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N=C(N)c1cccc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL139233
Phase Preclinical
Structure Type MOL
InChI Key YFXIKBAGCWBCKG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
0.96
ALogP
5
HBA
4
HBD
142.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N3O5S
MW 377.42
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
1447740 10.1021/jm00101a017 Unchecked 3
1447740 10.1021/jm00101a017 Integrin alpha-IIb/beta-3 1

Data from ChEMBL 36 via Core Engine