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Compound Detail

CHEMBL207313

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O=C(NCc1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL207313
Phase Preclinical
Structure Type MOL
InChI Key LKQUCICFTHBFAL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

211.3
MW (Da)
2.62
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H13NO
MW 211.26
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.12

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
36356534 10.1016/j.bmc.2022.117072 Unchecked 6
36356534 10.1016/j.bmc.2022.117072 HCT-116 2
16513349 10.1016/j.bmcl.2006.02.018 Tyrosinase 1
36356534 10.1016/j.bmc.2022.117072 DLD-1 1
36356534 10.1016/j.bmc.2022.117072 HT-29 1
36356534 10.1016/j.bmc.2022.117072 FHC 1

Data from ChEMBL 36 via Core Engine