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Compound Detail

CHEMBL1204539

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COc1ccc(-c2ccc(COCc3ccc(C(=O)N[C@@H](CCSC)C(=O)O)c(-c4ccccc4C)c3)o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204539
Phase Preclinical
Structure Type MOL
InChI Key FCTWBCRRJCWKTE-LJAQVGFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

559.7
MW (Da)
6.58
ALogP
6
HBA
2
HBD
98.0
PSA (Ų)
0.19
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H33NO6S
MW 559.68
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.65

Data from ChEMBL 36 via Core Engine