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Compound Detail

CHEMBL313850

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O=[N+]([O-])c1cccc(-c2ccc3c(c2)nc(O)n3Cc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL313850
Phase Preclinical
Structure Type MOL
InChI Key IFPXBLQVJULITA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
4.37
ALogP
5
HBA
1
HBD
81.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N3O3
MW 345.36
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
11591515 10.1016/s0960-894x(01)00554-6 Progesterone receptor 3

Data from ChEMBL 36 via Core Engine