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Compound Detail

CHEMBL417167

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Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCCN)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL417167
Phase Preclinical
Structure Type MOL
InChI Key GTIRMLVJYUTYOD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
2.52
ALogP
4
HBA
2
HBD
81.4
PSA (Ų)
0.77
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 C16H20N2O3S
MW 320.41
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.39

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
9873400 10.1016/s0960-894x(98)00269-8 Prothrombin 1
9873400 10.1016/s0960-894x(98)00269-8 Unchecked 1
9873400 10.1016/s0960-894x(98)00269-8 ADMET 1
9873400 10.1016/s0960-894x(98)00269-8 No relevant target 1

Data from ChEMBL 36 via Core Engine