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Compound Detail

CHEMBL371549

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O=C(CNc1[nH]cnc2ncc(-c3ccccc3)c1-2)NC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL371549
Phase Preclinical
Structure Type MOL
InChI Key QUQPIIFVNXHZMN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
2.27
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.68
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 C17H17N5O
MW 307.36
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
16302820 10.1021/jm050394a Adenosine kinase 1

Data from ChEMBL 36 via Core Engine