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Compound Detail

CHEMBL1852366

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COc1cc2c(cc1OC)CN(CCCNC(=O)c1cc(Br)cc(OC)c1OC)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1852366
Phase Preclinical
Structure Type MOL
InChI Key BQVXBDIRKQMZSD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

493.4
MW (Da)
3.66
ALogP
6
HBA
1
HBD
69.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29BrN2O5
MW 493.40
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.78

Data from ChEMBL 36 via Core Engine