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Compound Detail

CHEMBL1615838

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COc1cc(-c2ncn(C)c2-c2ccc(N(C)C)cc2)cc(Br)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1615838
Phase Preclinical
Structure Type MOL
InChI Key NCNUYOCMYGYZMR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.3
MW (Da)
4.60
ALogP
5
HBA
0
HBD
39.5
PSA (Ų)
0.61
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 C20H22BrN3O2
MW 416.32
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.64

Data from ChEMBL 36 via Core Engine