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Compound Detail

CHEMBL3594475

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CC(=O)NCC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3594475
Phase Preclinical
Structure Type MOL
InChI Key ZAWOCMUWRRQDID-DOMZBBRYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.2
MW (Da)
2.80
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20Cl2N2O2
MW 331.24
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.41

Data from ChEMBL 36 via Core Engine