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Compound Detail

CHEMBL519335

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O=c1c(/C=N/c2cccnc2)coc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL519335
Phase Preclinical
Structure Type MOL
InChI Key KGBGWKFCILKOMG-CAOOACKPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
2.94
ALogP
4
HBA
0
HBD
55.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10N2O2
MW 250.26
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
19329330 10.1016/j.bmc.2009.03.020 Thymidine phosphorylase 1

Data from ChEMBL 36 via Core Engine