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Compound Detail

CHEMBL2142712

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COC(=O)c1cccc(-c2cc(N3CCN(C(=O)c4ccoc4)CC3)n3nc(-c4cccc(OC)c4)cc3n2)c1

Basic Information

ChEMBL ID CHEMBL2142712
Phase Preclinical
Structure Type MOL
InChI Key GFMCXHNXJIUVEM-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

537.6
MW (Da)
4.41
ALogP
9
HBA
0
HBD
102.4
PSA (Ų)
0.29
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 C30H27N5O5
MW 537.58
Aromatic Rings 5
Heavy Atoms 40
NP-Likeness -1.30

Activity Summary

EC50 2 meas.

Data from ChEMBL 36 via Core Engine