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Compound Detail

CHEMBL2335100

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O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2335100
Phase Preclinical
Structure Type MOL
InChI Key CSKSVJQNCHKCAL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
2.09
ALogP
4
HBA
1
HBD
76.1
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10N2O3S
MW 286.31
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
23416191 10.1016/j.ejmech.2013.01.023 PANC-1 1
23416191 10.1016/j.ejmech.2013.01.023 ASPC1 1
23416191 10.1016/j.ejmech.2013.01.023 MDA-MB-231 1
23416191 10.1016/j.ejmech.2013.01.023 MCF7 1

Data from ChEMBL 36 via Core Engine