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Compound Detail

CHEMBL2441102

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O=C(Nc1ccc(Oc2ccc(O)cc2)cc1)c1ccccc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2441102
Phase Preclinical
Structure Type MOL
InChI Key GJOPJCPFQFYWPG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.3
MW (Da)
4.35
ALogP
5
HBA
2
HBD
101.7
PSA (Ų)
0.53
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 C19H14N2O5
MW 350.33
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
24900588 10.1021/ml4001744 Androgen receptor 1

Data from ChEMBL 36 via Core Engine