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Compound Detail

CHEMBL3623599

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COc1ccc(-c2cc(=O)c3c(ccc4c3ccn4CC3CC3)[nH]2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3623599
Phase Preclinical
Structure Type MOL
InChI Key JEHBNHDNBROFBE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
4.58
ALogP
4
HBA
1
HBD
56.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N2O3
MW 374.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
26418966 10.1021/acs.jmedchem.5b00805 NON-PROTEIN TARGET 3
26418966 10.1021/acs.jmedchem.5b00805 Tubulin 2
26418966 10.1021/acs.jmedchem.5b00805 CCRF-CEM 1
26418966 10.1021/acs.jmedchem.5b00805 OVCAR-3 1
26418966 10.1021/acs.jmedchem.5b00805 MCF7 1
26418966 10.1021/acs.jmedchem.5b00805 HT-29 1
26418966 10.1021/acs.jmedchem.5b00805 A549 1
26418966 10.1021/acs.jmedchem.5b00805 HeLa 1
26418966 10.1021/acs.jmedchem.5b00805 HL-60 1
26418966 10.1021/acs.jmedchem.5b00805 K562 1
26418966 10.1021/acs.jmedchem.5b00805 Jurkat 1
26418966 10.1021/acs.jmedchem.5b00805 MV4-11 1
26418966 10.1021/acs.jmedchem.5b00805 THP-1 1

Data from ChEMBL 36 via Core Engine