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Compound Detail

CHEMBL395395

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CC(=O)N(C)c1cc(-c2cccc(Cl)c2)oc1C(=O)N=C(N)N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL395395
Phase Preclinical
Structure Type MOL
InChI Key FDVWIKWNXMYXQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.8
MW (Da)
2.00
ALogP
3
HBA
2
HBD
114.9
PSA (Ų)
0.66
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 C15H15ClN4O3
MW 334.76
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.93

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