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Compound Detail

CHEMBL391658

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c1ccc(NCc2cc(CNc3ccccc3)cc(CNc3ccccc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL391658
Phase Preclinical
Structure Type MOL
InChI Key GTEQWROEEALZGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
6.52
ALogP
3
HBA
3
HBD
36.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27N3
MW 393.53
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.42

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