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Compound Detail

CHEMBL535666

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Nc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL535666
Phase Preclinical
Structure Type MOL
InChI Key BWLLTRKWOIOSFN-FGZHOGPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.9
MW (Da)
3.94
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24ClN3O3
MW 413.91
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.41

Data from ChEMBL 36 via Core Engine