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Compound Detail

CHEMBL229031

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NCCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL229031
Phase Preclinical
Structure Type MOL
InChI Key UKCSRELJQKEQGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.8
MW (Da)
3.84
ALogP
4
HBA
3
HBD
71.2
PSA (Ų)
0.64
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 C17H16ClN3O
MW 313.79
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
17591441 10.1016/j.bmcl.2007.05.104 HUVEC 1

Data from ChEMBL 36 via Core Engine