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Compound Detail

CHEMBL2131314

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COc1cccc(-c2cc3nc(C)c(C)c(N4CCN(Cc5ccco5)CC4)n3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2131314
Phase Preclinical
Structure Type MOL
InChI Key PCMYUPRQHKUXDL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
3.94
ALogP
7
HBA
0
HBD
59.0
PSA (Ų)
0.49
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 C24H27N5O2
MW 417.51
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.93

Activity Summary

EC50 1 meas.

Data from ChEMBL 36 via Core Engine