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Compound Detail

CHEMBL235100

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c1ccc(NC[C@H]2CC[C@H](CNc3ccccc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL235100
Phase Preclinical
Structure Type MOL
InChI Key LXYWJEHXFWSNFS-IYARVYRRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
5.02
ALogP
2
HBA
2
HBD
24.1
PSA (Ų)
0.78
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N2
MW 294.44
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
17958344 10.1021/jm070679i C-X-C chemokine receptor type 4 1

Data from ChEMBL 36 via Core Engine