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Compound Detail

CHEMBL363082

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O=CC(NC(=O)N(CCCl)N=O)C(O)C(O)C(O)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL363082
Phase Preclinical
Structure Type MOL
InChI Key MKQWTWSXVILIKJ-UHFFFAOYSA-N

Known Names

NCI-178248
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names

Molecular Properties

313.7
MW (Da)
-2.44
ALogP
8
HBA
5
HBD
159.8
PSA (Ų)
0.14
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H16ClN3O7
MW 313.69
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.99

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15481972 10.1021/jm049934e Cytochrome P450 2D6 1

Data from ChEMBL 36 via Core Engine