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Compound Detail

CHEMBL4174364

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COc1cc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4174364
Phase Preclinical
Structure Type MOL
InChI Key IQPXDSYBTSURAA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

300.8
MW (Da)
4.11
ALogP
3
HBA
2
HBD
58.1
PSA (Ų)
0.76
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 C16H13ClN2O2
MW 300.75
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.90

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