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Compound Detail

CHEMBL307913

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CC1(C)CN=C(Nc2cccnc2)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL307913
Phase Preclinical
Structure Type MOL
InChI Key JJGMSSXTGUXIOB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

190.2
MW (Da)
1.23
ALogP
4
HBA
2
HBD
49.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14N4
MW 190.25
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
1613756 10.1021/jm00090a025 No relevant target 1
1613756 10.1021/jm00090a025 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine