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Compound Detail

CHEMBL243660

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OC(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1cncn1Cc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL243660
Phase Preclinical
Structure Type MOL
InChI Key VBZCQPDQEPHLOD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

501.4
MW (Da)
5.58
ALogP
7
HBA
1
HBD
81.1
PSA (Ų)
0.33
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H18Cl2N6O
MW 501.38
Aromatic Rings 6
Heavy Atoms 35
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
17316920 10.1016/j.ejmech.2006.12.007 Unchecked 2

Data from ChEMBL 36 via Core Engine