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Compound Detail

CHEMBL544506

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Cl.NCC(=C(Br)Br)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL544506
Phase Preclinical
Structure Type MOL
InChI Key PZVXEBAOEHHORD-UHFFFAOYSA-N
Parent Compound CHEMBL1193144
Active Moiety CHEMBL1193144
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.0
MW (Da)
3.10
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.89
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 C9H10Br2ClN
MW 327.45
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.03

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3968682 10.1021/jm00380a007 Monoamine oxidase 1

Data from ChEMBL 36 via Core Engine