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Compound Detail

CHEMBL188539

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O=C(O)COc1cccc2c1CCC=C2CCO/N=C(\c1ccccc1)c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL188539
Phase Preclinical
Structure Type MOL
InChI Key WBBLIRPKRKYMTD-BYCLXTJYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
4.73
ALogP
5
HBA
1
HBD
81.0
PSA (Ų)
0.30
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N2O4
MW 428.49
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.15

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
16078846 10.1021/jm050194z Homo sapiens 2

Data from ChEMBL 36 via Core Engine