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Compound Detail

CHEMBL398212

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O=C1c2nccnc2C(=O)N1CCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL398212
Phase Preclinical
Structure Type MOL
InChI Key HOVVBQCASITNRT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
1.32
ALogP
4
HBA
0
HBD
63.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11N3O2
MW 253.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
17234303 10.1016/j.ejmech.2006.12.003 Vero 1

Data from ChEMBL 36 via Core Engine