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Compound Detail

CHEMBL4867599

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CN1N=C(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)c2c1c1ccccc1c1nc3ccccc3nc21

Basic Information

ChEMBL ID CHEMBL4867599
Phase Preclinical
Structure Type MOL
InChI Key SAQHSKBQKZUIIB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

519.4
MW (Da)
8.23
ALogP
4
HBA
0
HBD
41.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H20Cl2N4
MW 519.44
Aromatic Rings 6
Heavy Atoms 37
NP-Likeness -0.48

Literature References

Data from ChEMBL 36 via Core Engine