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Compound Detail

CHEMBL4162350

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COc1cc(C2CC(c3ccc(Cl)cc3)=NN2C(C)=O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4162350
Phase Preclinical
Structure Type MOL
InChI Key DDBOVZJFZPFQFA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.8
MW (Da)
3.75
ALogP
4
HBA
1
HBD
62.1
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17ClN2O3
MW 344.80
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.72

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