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Compound Detail

CHEMBL242650

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c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL242650
Phase Preclinical
Structure Type MOL
InChI Key GGHBKCSNURXPNB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
5.10
ALogP
6
HBA
3
HBD
74.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N6
MW 354.42
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.60

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine