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Compound Detail

CHEMBL1164078

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C/C(=N\n1c(-c2ccccc2)nc2ccccc2c1=O)Nc1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1164078
Phase Preclinical
Structure Type MOL
InChI Key CWNGBCXXDLAGOH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
5.51
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20N4O
MW 404.47
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
20494587 10.1016/j.bmc.2010.04.083 Thermolysin 1

Data from ChEMBL 36 via Core Engine