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Compound Detail

CHEMBL231190

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OCCNCCCNc1ccnc2cc(Cl)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL231190
Phase Preclinical
Structure Type MOL
InChI Key MNUUKEZBBCZHQH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

279.8
MW (Da)
2.27
ALogP
4
HBA
3
HBD
57.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18ClN3O
MW 279.77
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.95

Literature References

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

Data from ChEMBL 36 via Core Engine