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Compound Detail

CHEMBL244320

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CC(=O)Nc1nc(NC(C)=O)nc(NC(C)=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL244320
Phase Preclinical
Structure Type MOL
InChI Key ZZUIZULDVRLXNB-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

252.2
MW (Da)
-0.25
ALogP
6
HBA
3
HBD
126.0
PSA (Ų)
0.68
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 C9H12N6O3
MW 252.23
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.64

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
17449247 10.1016/j.bmcl.2007.04.007 HL-60 26
17449247 10.1016/j.bmcl.2007.04.007 ADMET 2
17449247 10.1016/j.bmcl.2007.04.007 LoVo 2
17449247 10.1016/j.bmcl.2007.04.007 Mycobacterium tuberculosis 2
17449247 10.1016/j.bmcl.2007.04.007 Unchecked 1
17449247 10.1016/j.bmcl.2007.04.007 Chlorella vulgaris 1

Data from ChEMBL 36 via Core Engine