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Compound Detail

CHEMBL462611

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CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL462611
Phase Preclinical
Structure Type MOL
InChI Key GOUDZYNYUNMZLL-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.9
MW (Da)
5.01
ALogP
2
HBA
1
HBD
52.6
PSA (Ų)
0.73
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClF3N3O2
MW 439.87
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.89

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