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Compound Detail

CHEMBL454941

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O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL454941
Phase Preclinical
Structure Type MOL
InChI Key KAPQLIRRKLUHPB-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.3
MW (Da)
4.31
ALogP
2
HBA
2
HBD
61.4
PSA (Ų)
0.81
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 C19H19Cl2N3O2
MW 392.29
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
19183043 10.1021/jm801416q C-C chemokine receptor type 1 1

Data from ChEMBL 36 via Core Engine