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Compound Detail

CHEMBL2236854

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CN(C)c1ccc(/C=C/C(=O)c2cccc(N)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2236854
Phase Preclinical
Structure Type MOL
InChI Key RNPQOWPXHZAYGS-DHZHZOJOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
3.23
ALogP
3
HBA
1
HBD
46.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O
MW 266.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-011-9549-9 HT-29 1
- 10.1007/s00044-011-9549-9 SGC-7901 1
31000155 10.1016/j.bmcl.2019.04.020 Trypanosoma cruzi 1
31000155 10.1016/j.bmcl.2019.04.020 L929 1
31000155 10.1016/j.bmcl.2019.04.020 Unchecked 1

Data from ChEMBL 36 via Core Engine