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Compound Detail

CHEMBL313380

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O=C1NC(c2ccccc2)CN1S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL313380
Phase Preclinical
Structure Type MOL
InChI Key XZABAYDVSYBCLB-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
2.14
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N2O3S
MW 302.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.94

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00463-5 A549 1
- 10.1016/0960-894X(96)00463-5 SK-MEL-2 1

Data from ChEMBL 36 via Core Engine