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Compound Detail

CHEMBL399130

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O=C(Nc1ccccc1N1CCC(CO)C1)c1ccc([N+](=O)[O-])o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL399130
Phase Preclinical
Structure Type MOL
InChI Key NJTNSYVJJGMGAP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.3
MW (Da)
2.26
ALogP
6
HBA
2
HBD
108.8
PSA (Ų)
0.64
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 C16H17N3O5
MW 331.33
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.89

Literature References

PubMed DOI Target Context # Activities
17904845 10.1016/j.bmcl.2007.09.057 Macrophage colony-stimulating factor 1 receptor 1

Data from ChEMBL 36 via Core Engine