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Compound Detail

CHEMBL278969

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O=C1NCc2c1c(-c1ccccc1)cc1[nH]c3ccccc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL278969
Phase Preclinical
Structure Type MOL
InChI Key CDJLKKNQEXKYSP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
4.23
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14N2O
MW 298.35
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness 0.51

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00188-Y Choline O-acetyltransferase 1
17266195 10.1021/jm051074u Mitogen-activated protein kinase kinase kinase 9 1
17266195 10.1021/jm051074u Mitogen-activated protein kinase kinase kinase 11 1

Data from ChEMBL 36 via Core Engine