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Compound Detail

CHEMBL18237

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COc1ccc(-c2nc(C(=O)N3CCCCC3)sc2-c2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL18237
Phase Preclinical
Structure Type MOL
InChI Key AXIFXSZXLXOZQX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
5.12
ALogP
5
HBA
0
HBD
51.7
PSA (Ų)
0.59
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N2O3S
MW 408.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.98

Literature References

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

Data from ChEMBL 36 via Core Engine