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Compound Detail

CHEMBL152297

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O=C(NCCc1ccc(O)cc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL152297
Phase Preclinical
Structure Type MOL
InChI Key MUCNBPCTSRYLCB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

241.3
MW (Da)
2.36
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H15NO2
MW 241.29
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.46

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
14667216 10.1021/jm0205346 Aldo-keto reductase family 1 member B1 1
17067146 10.1021/np060007f Plasmodium falciparum 1
19545120 10.1021/jm900106f Zinc finger protein GLI1 1

Data from ChEMBL 36 via Core Engine