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Compound Detail

CHEMBL4641721

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Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC(N4CCCCC4)C3)cnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4641721
Phase Preclinical
Structure Type MOL
InChI Key PZGLNMPUBXIDMH-OAHLLOKOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.4
MW (Da)
4.73
ALogP
6
HBA
0
HBD
50.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26Cl2N6
MW 445.40
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
32667798 10.1021/acs.jmedchem.0c00988 C-C chemokine receptor type 4 1

Data from ChEMBL 36 via Core Engine