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Compound Detail

CHEMBL80750

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CCCCOc1c(C(C)=O)c[nH]c2nncc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL80750
Phase Preclinical
Structure Type MOL
InChI Key GVIMAPSMLUVUQA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

233.3
MW (Da)
2.29
ALogP
4
HBA
1
HBD
67.9
PSA (Ų)
0.64
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 C12H15N3O2
MW 233.27
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
12824044 10.1016/s0960-894x(03)00381-0 Cyclin-dependent kinase 2/cyclin E 1

Data from ChEMBL 36 via Core Engine