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Compound Detail

CHEMBL232179

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CC(=O)N(C)c1cc(-c2cc(Cl)ccc2Cl)oc1C(=O)N=C(N)N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL232179
Phase Preclinical
Structure Type MOL
InChI Key SIANDLWYWQYUIX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.2
MW (Da)
2.65
ALogP
3
HBA
2
HBD
114.9
PSA (Ų)
0.64
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 C15H14Cl2N4O3
MW 369.21
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
17189690 10.1016/j.bmcl.2006.12.012 Sodium/hydrogen exchanger 1 1

Data from ChEMBL 36 via Core Engine