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Compound Detail

CHEMBL588651

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Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccncc3)O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL588651
Phase Preclinical
Structure Type MOL
InChI Key LGWLOZYJBIRIKR-PZJWPPBQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

415.9
MW (Da)
4.47
ALogP
6
HBA
0
HBD
49.2
PSA (Ų)
0.51
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 C21H22ClN3O2S
MW 415.95
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine