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Compound Detail

CHEMBL1163633

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O=C1c2ccccc2NC(c2ccccc2)N1/N=C/c1cccc2cccc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1163633
Phase Preclinical
Structure Type MOL
InChI Key FEGGRIGYDRRYFH-WGOQTCKBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
5.15
ALogP
4
HBA
2
HBD
64.9
PSA (Ų)
0.47
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 C25H19N3O2
MW 393.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.22

Literature References

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

Data from ChEMBL 36 via Core Engine