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Compound Detail

CHEMBL1807096

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C[C@]1([C@@H](O)c2ccc(Cl)cc2)NC(=S)N(c2ccc(Cl)cc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1807096
Phase Preclinical
Structure Type MOL
InChI Key WNLWEXCPSCXNQQ-WMLDXEAASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

381.3
MW (Da)
3.71
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14Cl2N2O2S
MW 381.28
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
21600678 10.1016/j.ejmech.2011.04.050 PC-3 1
21600678 10.1016/j.ejmech.2011.04.050 LNCaP 1

Data from ChEMBL 36 via Core Engine