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Compound Detail

CHEMBL2031246

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COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)C3CCCCC3)c2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2031246
Phase Preclinical
Structure Type MOL
InChI Key FPBDXUXLKFOFHR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
4.36
ALogP
6
HBA
3
HBD
97.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N3O5S
MW 471.58
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
22268551 10.1021/jm2013369 Protein smoothened 2
22268551 10.1021/jm2013369 C3H 10T1/2 2

Data from ChEMBL 36 via Core Engine