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Compound Detail

CHEMBL330000

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COCCCNc1nc(Cl)nc2c1ncn2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL330000
Phase Preclinical
Structure Type MOL
InChI Key RWHOLHGYJBYGOU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

255.7
MW (Da)
1.47
ALogP
6
HBA
1
HBD
64.9
PSA (Ų)
0.65
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 C10H14ClN5O
MW 255.71
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10076-2 Cyclin-dependent kinase 2/cyclin E 1

Data from ChEMBL 36 via Core Engine