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Compound Detail

CHEMBL1979155

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O=C1c2ccccc2C(=O)C1C(c1ccc([N+](=O)[O-])cc1)C1C(=O)c2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1979155
Phase Preclinical
Structure Type MOL
InChI Key IMSFIAWRQCLBNS-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

425.4
MW (Da)
4.07
ALogP
6
HBA
0
HBD
111.4
PSA (Ų)
0.35
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 C25H15NO6
MW 425.40
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.27

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
28739043 10.1016/j.bmcl.2017.07.035 Myocilin 2

Data from ChEMBL 36 via Core Engine