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Compound Detail

CHEMBL125834

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O=C(O)c1cccc(-c2nn(Cc3ccccc3)c3ccccc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL125834
Phase Preclinical
Structure Type MOL
InChI Key CPULOHPFZMGPTC-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
4.45
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16N2O2
MW 328.37
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.17

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
11606139 10.1021/jm010001h Unchecked 4

Data from ChEMBL 36 via Core Engine