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Compound Detail

CHEMBL331960

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CC(=O)N1N=C(c2ccccc2)CC1c1cccc(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL331960
Phase Preclinical
Structure Type MOL
InChI Key OKEUMYRXBZFEDA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
3.69
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2O
MW 278.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.27

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
12443791 10.1016/s0960-894x(02)00699-6 Monoamine oxidase 1
12443791 10.1016/s0960-894x(02)00699-6 Diamine oxidase [copper-containing] 1
12443791 10.1016/s0960-894x(02)00699-6 Unchecked 1

Data from ChEMBL 36 via Core Engine