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Compound Detail

CHEMBL538588

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Br.CN(C)Cc1ccc(CN(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL538588
Phase Preclinical
Structure Type MOL
InChI Key HDBIVAVTOIIMBT-UHFFFAOYSA-N
Parent Compound CHEMBL1189382
Active Moiety CHEMBL1189382
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

192.3
MW (Da)
1.81
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H21BrN2
MW 273.22
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
17958344 10.1021/jm070679i C-X-C chemokine receptor type 4 1

Data from ChEMBL 36 via Core Engine