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Compound Detail

CHEMBL568684

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O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL568684
Phase Preclinical
Structure Type MOL
InChI Key YIYLAYRSJCHOLQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

608.4
MW (Da)
7.13
ALogP
5
HBA
2
HBD
63.7
PSA (Ų)
0.31
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30Cl4N6O
MW 608.40
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -1.80

Literature References

PubMed DOI Target Context # Activities
19647429 10.1016/j.bmcl.2009.07.020 C-X-C chemokine receptor type 3 1

Data from ChEMBL 36 via Core Engine