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Compound Detail

CHEMBL3133719

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O=C1N[C@H]2[C@@H]3NC(=O)c4cccn4[C@@H]3C[C@H]2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3133719
Phase Preclinical
Structure Type MOL
InChI Key NRIORDURFSZUFS-FNCVBFRFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

233.2
MW (Da)
0.02
ALogP
4
HBA
2
HBD
72.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H11N3O3
MW 233.23
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.83

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD00094J NON-PROTEIN TARGET 1
- 10.1039/C3MD00094J Raji 1
- 10.1039/C3MD00094J DU-145 1

Data from ChEMBL 36 via Core Engine