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Compound Detail

CHEMBL422980

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CN1C=Nc2[nH]cnc2C1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL422980
Phase Preclinical
Structure Type MOL
InChI Key PDCVVLXRQAHWTJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

151.2
MW (Da)
-0.03
ALogP
4
HBA
2
HBD
70.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H9N5
MW 151.17
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.05

Literature References

PubMed DOI Target Context # Activities
11741482 10.1021/jm9904708 Nucleic Acid 1
9046330 10.1021/jm960666x Cyclin-dependent kinase 1 1

Data from ChEMBL 36 via Core Engine