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Compound Detail

CHEMBL154010

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O=C(c1cccc2c(Cl)c3ccccc3nc12)N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL154010
Phase Preclinical
Structure Type MOL
InChI Key BQEMNRONVKXUMR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.8
MW (Da)
3.51
ALogP
3
HBA
0
HBD
42.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15ClN2O2
MW 326.78
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.31

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
14667232 10.1021/jm030253d CCRF-CEM 1

Data from ChEMBL 36 via Core Engine