Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1910417

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)(CO)[C@@H]1C[C@H](NCc2ccccc2)c2cc([N+](=O)[O-])ccc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1910417
Phase Preclinical
Structure Type MOL
InChI Key SPVCQOCFNHNQMG-OALUTQOASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
3.63
ALogP
5
HBA
3
HBD
87.4
PSA (Ų)
0.54
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 C20H25N3O3
MW 355.44
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.54

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