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Compound Detail

CHEMBL1213686

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COc1ccc2ccc3nc(N)nc(N)c3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1213686
Phase Preclinical
Structure Type MOL
InChI Key LKYSUZLQYNDFAY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
1.96
ALogP
5
HBA
2
HBD
87.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N4O
MW 240.27
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.38

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20185316 10.1016/j.bmc.2010.01.068 Cryptosporidium parvum 1

Data from ChEMBL 36 via Core Engine