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Compound Detail

CHEMBL328373

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O=C(c1ccco1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1

Basic Information

ChEMBL ID CHEMBL328373
Phase Preclinical
Structure Type MOL
InChI Key NWAQOASMFJOTSL-LOSJGSFVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.6
MW (Da)
5.02
ALogP
3
HBA
0
HBD
36.7
PSA (Ų)
0.59
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30N2O2
MW 414.55
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C-C chemokine receptor type 5
CHEMBL274
IC50 7.26 7.26 55.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11591514 10.1016/s0960-894x(01)00545-5 C-C chemokine receptor type 5 1

Data from ChEMBL 36 via Core Engine