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Compound Detail

CHEMBL2158877

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O=C(NCCCN1CCOCC1)Nc1cnc2ccccn2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2158877
Phase Preclinical
Structure Type MOL
InChI Key HYLAUTZOPPKVRP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
0.54
ALogP
6
HBA
2
HBD
88.0
PSA (Ų)
0.78
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 C16H21N5O3
MW 331.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.54

Literature References

PubMed DOI Target Context # Activities
23040894 10.1016/j.bmc.2012.09.008 Unchecked 2

Data from ChEMBL 36 via Core Engine