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Compound Detail

CHEMBL1180562

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C=CCN1CCc2c(cc(O)c(O)c2Br)C(c2ccc(O)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180562
Phase Preclinical
Structure Type MOL
InChI Key XKEQGYALVIXDMO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.3
MW (Da)
3.74
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20BrNO3
MW 390.28
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.59

Data from ChEMBL 36 via Core Engine