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Compound Detail

CHEMBL1194657

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CN(C(=O)c1ccc(Br)cc1)[C@H]1CCCC[C@@]12CCCN2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194657
Phase Preclinical
Structure Type MOL
InChI Key WSLXSNJSFVVKJU-FUHWJXTLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

365.3
MW (Da)
3.93
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25BrN2O
MW 365.32
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.19

Data from ChEMBL 36 via Core Engine