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Compound Detail

CHEMBL456425

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CCN(C(=O)C(C)(C)c1ccccc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL456425
Phase Preclinical
Structure Type MOL
InChI Key HUSIYLIXVFOCGJ-PEFOLFAWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

503.7
MW (Da)
5.71
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.45
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H45N3O2
MW 503.73
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
19171484 10.1016/j.bmcl.2009.01.009 C-C chemokine receptor type 5 1

Data from ChEMBL 36 via Core Engine