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Compound Detail

CHEMBL4164024

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Cl.Fc1ncccc1CN[C@@H]1[C@H]2Cc3ccccc3[C@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4164024
Phase Preclinical
Structure Type MOL
InChI Key IXNBTFJPUQSIGB-ONAKXNSWSA-N
Parent Compound CHEMBL4299784
Active Moiety CHEMBL4299784
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
2.65
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16ClFN2
MW 290.77
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.27

Literature References

PubMed DOI Target Context # Activities
29031059 10.1016/j.ejmech.2017.09.073 Amine oxidase [flavin-containing] A 1
29031059 10.1016/j.ejmech.2017.09.073 Lysine-specific histone demethylase 1A 1
29031059 10.1016/j.ejmech.2017.09.073 Amine oxidase [flavin-containing] B 1
29031059 10.1016/j.ejmech.2017.09.073 Lysine-specific histone demethylase 2 1

Data from ChEMBL 36 via Core Engine