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Compound Detail

CHEMBL33278

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O=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL33278
Phase Preclinical
Structure Type MOL
InChI Key IYDQYNJRALWSOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

501.5
MW (Da)
7.17
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.48
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34Cl2N2O2
MW 501.50
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
11311066 10.1021/jm0004244 C-C chemokine receptor type 1 2

Data from ChEMBL 36 via Core Engine