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Compound Detail

CHEMBL1910409

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

Basic Information

ChEMBL ID CHEMBL1910409
Phase Preclinical
Structure Type MOL
InChI Key OSMKOXYALPBEOJ-GJZGRUSLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
2.84
ALogP
5
HBA
3
HBD
87.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25N3O3
MW 307.39
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.40

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