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Compound Detail

CHEMBL2142391

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COc1cccc(-c2cc(N3CCN(C(=O)c4ccoc4)CC3)n3nc(-c4cccc(OC)c4)cc3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2142391
Phase Preclinical
Structure Type MOL
InChI Key OHGIBORBCTXUIC-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

509.6
MW (Da)
4.64
ALogP
8
HBA
0
HBD
85.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H27N5O4
MW 509.57
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.28

Activity Summary

EC50 2 meas.

Data from ChEMBL 36 via Core Engine