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Compound Detail

CHEMBL1910415

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

Basic Information

ChEMBL ID CHEMBL1910415
Phase Preclinical
Structure Type MOL
InChI Key YWOPUJOSRGQHHG-GJZGRUSLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
2.55
ALogP
5
HBA
4
HBD
116.5
PSA (Ų)
0.48
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 C17H26N4O4
MW 350.42
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.88

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