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Compound Detail

CHEMBL3799959

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O=C(C1COCCN1)N1CCC2(CCN(c3nccc(NCc4ccc(Cl)cc4Cl)n3)CC2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3799959
Phase Preclinical
Structure Type MOL
InChI Key NJSJPUBZQLJBBD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

505.4
MW (Da)
3.20
ALogP
7
HBA
2
HBD
82.6
PSA (Ų)
0.65
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30Cl2N6O2
MW 505.45
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
26991939 10.1016/j.ejmech.2016.02.058 C-C chemokine receptor type 4 2
26991939 10.1016/j.ejmech.2016.02.058 No relevant target 1

Data from ChEMBL 36 via Core Engine