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Compound Detail

CHEMBL3546516

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Clc1cc(Br)ccc1OCCCCn1ccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3546516
Phase Preclinical
Structure Type MOL
InChI Key OYAZIWSNCYDCSJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.6
MW (Da)
4.16
ALogP
3
HBA
0
HBD
27.1
PSA (Ų)
0.74
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 C13H14BrClN2O
MW 329.62
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.78

Data from ChEMBL 36 via Core Engine