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Compound Detail

CHEMBL4532955

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COc1cccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4532955
Phase Preclinical
Structure Type MOL
InChI Key YEYGUUUBDJPUCT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

314.8
MW (Da)
3.80
ALogP
3
HBA
2
HBD
54.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15ClN2O2
MW 314.77
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
31971798 10.1021/acs.jmedchem.9b01423 ADMET 2
31971798 10.1021/acs.jmedchem.9b01423 Isocitrate dehydrogenase [NADP] cytoplasmic 1
31971798 10.1021/acs.jmedchem.9b01423 No relevant target 1

Data from ChEMBL 36 via Core Engine