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Compound Detail

CHEMBL473013

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CN1C2CCC1/C(=C\c1ccc(Cl)cc1)C(=O)/C2=C/c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL473013
Phase Preclinical
Structure Type MOL
InChI Key YILQAVVQOZRPNH-KLCVKJMQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

384.3
MW (Da)
5.51
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.64
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19Cl2NO
MW 384.31
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
18468733 10.1016/j.ejmech.2008.03.015 ADMET 3
18468733 10.1016/j.ejmech.2008.03.015 HSC-2 1
18468733 10.1016/j.ejmech.2008.03.015 HSC-3 1
18468733 10.1016/j.ejmech.2008.03.015 HSC-4 1
18468733 10.1016/j.ejmech.2008.03.015 HL-60 1
18468733 10.1016/j.ejmech.2008.03.015 Mus musculus 1
18468733 10.1016/j.ejmech.2008.03.015 NON-PROTEIN TARGET 1
18468733 10.1016/j.ejmech.2008.03.015 CCRF-CEM 1
18468733 10.1016/j.ejmech.2008.03.015 L1210 1

Data from ChEMBL 36 via Core Engine