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Compound Detail

CHEMBL12327

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COC(=O)C1Cc2c([nH]c3ccccc23)C(C)N1

Basic Information

ChEMBL ID CHEMBL12327
Phase Preclinical
Structure Type MOL
InChI Key WZHYQHKXXRMALW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
1.92
ALogP
3
HBA
2
HBD
54.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H16N2O2
MW 244.29
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.73

Literature References

PubMed DOI Target Context # Activities
21060288 10.3390/molecules15117775 Culex quinquefasciatus 3
1791472 10.1021/np50076a023 Human alphaherpesvirus 1 1
29960728 10.1016/j.bmc.2018.06.018 Amyloid-beta precursor protein 1
29960728 10.1016/j.bmc.2018.06.018 Unchecked 1
29960728 10.1016/j.bmc.2018.06.018 Acetylcholinesterase 1
29960728 10.1016/j.bmc.2018.06.018 Cholinesterase 1
21060288 10.3390/molecules15117775 Lipaphis erysimi 1
1791472 10.1021/np50076a023 ADMET 1
1791472 10.1021/np50076a023 Poliovirus 1 1
6127411 10.1021/jm00351a015 GABA-A receptor; anion channel 1
1791472 10.1021/np50076a023 Amorphotheca resinae 1
1791472 10.1021/np50076a023 Trichophyton mentagrophytes 1
1791472 10.1021/np50076a023 Candida albicans 1
1791472 10.1021/np50076a023 Pseudomonas aeruginosa 1
1791472 10.1021/np50076a023 Bacillus subtilis 1
1791472 10.1021/np50076a023 Escherichia coli 1
1791472 10.1021/np50076a023 P388 1

Data from ChEMBL 36 via Core Engine