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Compound Detail

CHEMBL512113

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Cc1ccccc1NC(=S)NC1CC(C)(C)Oc2ccc(Cl)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL512113
Phase Preclinical
Structure Type MOL
InChI Key MSWIGNQSZFUTDM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.9
MW (Da)
5.24
ALogP
2
HBA
2
HBD
33.3
PSA (Ų)
0.72
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21ClN2OS
MW 360.91
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
18406154 10.1016/j.bmc.2008.03.065 Unchecked 1
18406154 10.1016/j.bmc.2008.03.065 Aorta 1

Data from ChEMBL 36 via Core Engine