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Compound Detail

CHEMBL441353

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COc1cc(Br)c(OC)c(C(=O)NCC2CCCN2)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL441353
Phase Preclinical
Structure Type MOL
InChI Key HEYOCUXLIMONNN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.2
MW (Da)
1.96
ALogP
5
HBA
2
HBD
68.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21BrN2O4
MW 373.25
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.05

Data from ChEMBL 36 via Core Engine