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Compound Detail

CHEMBL1196847

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O=C1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196847
Phase Preclinical
Structure Type MOL
InChI Key BSABCFKHTSAMOS-UKRRQHHQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

298.2
MW (Da)
3.90
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17Cl2NO
MW 298.21
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.37

Data from ChEMBL 36 via Core Engine