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Compound Detail

CHEMBL188546

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COc1cc(C(=O)c2[nH]c3ccccc3c2N)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL188546
Phase Preclinical
Structure Type MOL
InChI Key WEXISZWZLXGBFW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
3.01
ALogP
5
HBA
2
HBD
86.6
PSA (Ų)
0.70
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 C18H18N2O4
MW 326.35
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
16005627 10.1016/j.bmcl.2005.06.022 L1210 1
16005627 10.1016/j.bmcl.2005.06.022 FM3A 1
16005627 10.1016/j.bmcl.2005.06.022 MOLT-4 1
16005627 10.1016/j.bmcl.2005.06.022 CCRF-CEM 1
18260616 10.1021/jm7011547 L1210 1
18260616 10.1021/jm7011547 FM3A 1
18260616 10.1021/jm7011547 NON-PROTEIN TARGET 1
18260616 10.1021/jm7011547 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine