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Compound Detail

CHEMBL18761

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COc1ccc(-c2nc(C3=NNC(=O)CC3)sc2-c2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL18761
Phase Preclinical
Structure Type MOL
InChI Key HXCNTFPNKWGNMS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
4.11
ALogP
6
HBA
1
HBD
72.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3O3S
MW 393.47
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.94

Literature References

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

Data from ChEMBL 36 via Core Engine