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Compound Detail

CHEMBL1206453

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C[C@@H](CS[C@H](CCc1ccccc1C(C)(C)O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206453
Phase Preclinical
Structure Type MOL
InChI Key DHBXJMYACXFGDK-URAOTHONSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

564.1
MW (Da)
7.82
ALogP
5
HBA
2
HBD
79.7
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H34ClNO4S
MW 564.15
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.37

Data from ChEMBL 36 via Core Engine