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Compound Detail

CHEMBL1671914

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CS(=O)(=O)Nc1ccc(Nc2cc3ncncc3c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1671914
Phase Preclinical
Structure Type MOL
InChI Key JAJIMUJJOKIWRE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
3.90
ALogP
5
HBA
2
HBD
84.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N4O2S
MW 364.43
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
21216603 10.1016/j.bmc.2010.12.037 HL-60 1
21216603 10.1016/j.bmc.2010.12.037 A-431 1
21216603 10.1016/j.bmc.2010.12.037 HeLa 1

Data from ChEMBL 36 via Core Engine