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Compound Detail

CHEMBL469991

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Nc1ccccc1NC(=O)/C=C/c1ccc(/C=N/OCc2ccc([N+](=O)[O-])cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL469991
Phase Preclinical
Structure Type MOL
InChI Key VRNRFXXEURJIAZ-AENMBQTOSA-N

Known Names

ST-3070
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
1
Known Names

Molecular Properties

416.4
MW (Da)
4.38
ALogP
6
HBA
2
HBD
119.8
PSA (Ų)
0.19
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N4O4
MW 416.44
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
19285395 10.1016/j.bmcl.2009.02.029 NB-4 1
19285395 10.1016/j.bmcl.2009.02.029 NCI-H460 1
19285395 10.1016/j.bmcl.2009.02.029 HCT-116 1

Data from ChEMBL 36 via Core Engine