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Compound Detail

CHEMBL272397

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CC1(C)OCC(COc2nc(N)nc3[nH]cnc23)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL272397
Phase Preclinical
Structure Type MOL
InChI Key RLXYBYJPRBYHSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
0.47
ALogP
7
HBA
2
HBD
108.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15N5O3
MW 265.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.15

Literature References

PubMed DOI Target Context # Activities
11063604 10.1021/jm000961o Methylated-DNA--protein-cysteine methyltransferase 2
12139449 10.1021/jm020056z Cyclin-dependent kinase 1/cyclin B1 1
12139449 10.1021/jm020056z Cyclin-dependent kinase 2/cyclin A 1
18271520 10.1021/jm070654j Cyclin-dependent kinase 1/cyclin B1 1
18271520 10.1021/jm070654j Unchecked 1

Data from ChEMBL 36 via Core Engine