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Compound Detail

CHEMBL2133181

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COc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccoc5)CC4)n3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2133181
Phase Preclinical
Structure Type MOL
InChI Key CXXWDCICUSMKLN-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

479.5
MW (Da)
4.63
ALogP
7
HBA
0
HBD
76.1
PSA (Ų)
0.37
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 C28H25N5O3
MW 479.54
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.42

Activity Summary

EC50 2 meas.

Data from ChEMBL 36 via Core Engine