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Compound Detail

CHEMBL1910420

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CCS(=O)(=O)[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1910420
Phase Preclinical
Structure Type MOL
InChI Key BUPDLZIYZYSTEG-KBPBESRZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
2.27
ALogP
6
HBA
2
HBD
109.5
PSA (Ų)
0.63
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 C15H22N2O5S
MW 342.42
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
21944856 10.1016/j.bmcl.2011.08.118 Androgen receptor 3
21944856 10.1016/j.bmcl.2011.08.118 No relevant target 1

Data from ChEMBL 36 via Core Engine