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Compound Detail

CHEMBL18697

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COc1ccc(-c2nc(CNC(=O)CSc3ccccc3)sc2-c2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL18697
Phase Preclinical
Structure Type MOL
InChI Key VHTQLHGCOZFBSU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

476.6
MW (Da)
5.90
ALogP
6
HBA
1
HBD
60.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N2O3S2
MW 476.62
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
8164261 10.1021/jm00034a017 Oryctolagus cuniculus 2
8164261 10.1021/jm00034a017 Cavia porcellus 2
8164261 10.1021/jm00034a017 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine