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Compound Detail

CHEMBL4164112

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CNc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(O)c(OC)c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4164112
Phase Preclinical
Structure Type MOL
InChI Key BXCXFZGXZIOAES-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

341.8
MW (Da)
4.22
ALogP
5
HBA
2
HBD
67.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16ClN3O2
MW 341.80
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
30106292 10.1021/acs.jmedchem.8b00657 Stromal cell-derived factor 1 1
30106292 10.1021/acs.jmedchem.8b00657 No relevant target 1

Data from ChEMBL 36 via Core Engine