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Compound Detail

CHEMBL2335099

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O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1c2ccccc2nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2335099
Phase Preclinical
Structure Type MOL
InChI Key BWBLTRMDJVXOPD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
4.40
ALogP
4
HBA
1
HBD
76.1
PSA (Ų)
0.52
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 C22H14N2O3S
MW 386.43
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.71

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