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Compound Detail

CHEMBL1195436

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CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195436
Phase Preclinical
Structure Type MOL
InChI Key SPMRKSIEUHZTAA-DYVFJYSZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.2
MW (Da)
4.80
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.88
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 C17H17Cl2NO
MW 322.24
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine