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Compound Detail

CHEMBL286701

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O=C(NC1CCN(CC2CCCCCCC2)CC1)c1c2ccccc2cc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL286701
Phase Preclinical
Structure Type MOL
InChI Key XHKMDGZLJMNNHK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.6
MW (Da)
6.55
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.48
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 C29H36N2O
MW 428.62
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.76

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