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Compound Detail

CHEMBL244724

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Cn1cncc1C(N)(c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)c1ccc(Cl)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL244724
Phase Preclinical
Structure Type MOL
InChI Key XGLRFYSROXIPRP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

507.4
MW (Da)
4.69
ALogP
9
HBA
1
HBD
99.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H16Cl2N8S
MW 507.41
Aromatic Rings 6
Heavy Atoms 34
NP-Likeness -1.77

Literature References

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

Data from ChEMBL 36 via Core Engine