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Compound Detail

CHEMBL289464

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O=C(NC1CCN(Cc2ccccc2)CC1)C1c2ccccc2Oc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL289464
Phase Preclinical
Structure Type MOL
InChI Key UWQDGCAENPSCTL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
4.71
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.69
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 C26H26N2O2
MW 398.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
11311066 10.1021/jm0004244 C-C chemokine receptor type 1 2
33310284 10.1016/j.ejmech.2020.113085 C-C chemokine receptor type 1 1

Data from ChEMBL 36 via Core Engine