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Compound Detail

CHEMBL491275

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CC(C)c1ccc(OCC(=O)Nc2nc3ccccc3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL491275
Phase Preclinical
Structure Type MOL
InChI Key HRKUGDRGFCGVFI-UHFFFAOYSA-N

Known Names

CAS 307545-04-6
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
1
Known Names

Molecular Properties

326.4
MW (Da)
4.44
ALogP
4
HBA
1
HBD
51.2
PSA (Ų)
0.75
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 C18H18N2O2S
MW 326.42
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.17

Literature References

PubMed DOI Target Context # Activities
19215087 10.1021/jm801278g Unchecked 2
19215087 10.1021/jm801278g Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine