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Compound Detail

CHEMBL19248

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CC/N=C(/N)Nc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL19248
Phase Preclinical
Structure Type MOL
InChI Key LRBSKQKIUNQPPY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
4.24
ALogP
5
HBA
2
HBD
81.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N4O2S
MW 382.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
8164261 10.1021/jm00034a017 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine