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Compound Detail

CHEMBL472784

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COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2OC31
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL472784
Phase Preclinical
Structure Type MOL
InChI Key WFCWSBBWJJBWFD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
3.27
ALogP
3
HBA
1
HBD
54.6
PSA (Ų)
0.75
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 C19H16N2O3
MW 320.35
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.06

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19254847 10.1016/j.bmc.2009.02.015 Aorta 2
26226379 10.1021/acs.jmedchem.5b00910 A549 1
26226379 10.1021/acs.jmedchem.5b00910 HCT-116 1
26226379 10.1021/acs.jmedchem.5b00910 MDA-MB-435 1

Data from ChEMBL 36 via Core Engine