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Compound Detail

CHEMBL1193302

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CN1CCC[C@@]12CCCC[C@@H]2NC(=O)c1cccc(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193302
Phase Preclinical
Structure Type MOL
InChI Key WCAACIAMWBEUCK-DOTOQJQBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

351.3
MW (Da)
3.59
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.88
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 C17H23BrN2O
MW 351.29
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.24

Data from ChEMBL 36 via Core Engine