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Compound Detail

CHEMBL1207255

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COc1ccc(CN2CCc3sc(/C=C4/C(=O)N5C(C(=O)O)=CS[C@H]45)cc3C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207255
Phase Preclinical
Structure Type MOL
InChI Key ZKKACLLQVNCVQU-VYBYYTRPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
3.54
ALogP
6
HBA
1
HBD
70.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N2O4S2
MW 440.55
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.78

Data from ChEMBL 36 via Core Engine