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Compound Detail

CHEMBL4645456

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CCN1CCC(C2CN(c3cnc4c(C)nn([C@H](C)c5ccc(Cl)cc5Cl)c4n3)C2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4645456
Phase Preclinical
Structure Type MOL
InChI Key WVFCNQHQTMWMST-MRXNPFEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

473.4
MW (Da)
5.22
ALogP
6
HBA
0
HBD
50.1
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30Cl2N6
MW 473.45
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.25

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