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Compound Detail

CHEMBL316305

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COc1ccc(CNc2nc(N3CCC(O)C3)nc3c2ncn3C(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL316305
Phase Preclinical
Structure Type MOL
InChI Key RPSNOLXNJKIIBZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
2.60
ALogP
8
HBA
2
HBD
88.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N6O2
MW 382.47
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.01

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