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Compound Detail

CHEMBL4205017

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CC(C)c1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=N\O)C(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4205017
Phase Preclinical
Structure Type MOL
InChI Key GHRBIVBQARXXLK-DLOIKSOESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
3.78
ALogP
4
HBA
3
HBD
73.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3O2
MW 319.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.14

Literature References

PubMed DOI Target Context # Activities
29122482 10.1016/j.bmcl.2017.10.069 HT-22 2

Data from ChEMBL 36 via Core Engine