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Compound Detail

CHEMBL473014

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CN1C2CCC1/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)/C2=C/c1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL473014
Phase Preclinical
Structure Type MOL
InChI Key MXGMMFCSROVAHU-KLCVKJMQSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

405.4
MW (Da)
4.02
ALogP
6
HBA
0
HBD
106.6
PSA (Ų)
0.43
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 C22H19N3O5
MW 405.41
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.16

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
18468733 10.1016/j.ejmech.2008.03.015 ADMET 3
18468733 10.1016/j.ejmech.2008.03.015 HSC-2 1
18468733 10.1016/j.ejmech.2008.03.015 HSC-3 1
18468733 10.1016/j.ejmech.2008.03.015 HSC-4 1
18468733 10.1016/j.ejmech.2008.03.015 HL-60 1
18468733 10.1016/j.ejmech.2008.03.015 Mus musculus 1
18468733 10.1016/j.ejmech.2008.03.015 NON-PROTEIN TARGET 1
18468733 10.1016/j.ejmech.2008.03.015 CCRF-CEM 1
18468733 10.1016/j.ejmech.2008.03.015 L1210 1

Data from ChEMBL 36 via Core Engine