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Compound Detail

CHEMBL177368

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c1ccc(CN2CCN(c3ncnc4oc(-c5ccccc5)nc34)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL177368
Phase Preclinical
Structure Type MOL
InChI Key LPHBGAGVDHVPNS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
3.61
ALogP
6
HBA
0
HBD
58.3
PSA (Ų)
0.55
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 C22H21N5O
MW 371.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
15050645 10.1016/j.bmcl.2004.01.082 Adenosine kinase 1

Data from ChEMBL 36 via Core Engine