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Compound Detail

CHEMBL199374

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Cn1cnc(CC(=O)N2CCN(c3nccc(OCc4ccc(Cl)cc4Cl)n3)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL199374
Phase Preclinical
Structure Type MOL
InChI Key JMGITMLELMVEAI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

461.4
MW (Da)
2.99
ALogP
7
HBA
0
HBD
76.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22Cl2N6O2
MW 461.35
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.75

Literature References

PubMed DOI Target Context # Activities
16236499 10.1016/j.bmcl.2005.09.022 C-C chemokine receptor type 4 1

Data from ChEMBL 36 via Core Engine