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Compound Detail

CHEMBL2078733

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COc1ccc(C(=O)C2CCN([C@@H]3CN(C(=O)c4cccs4)CC[C@H]3O)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2078733
Phase Preclinical
Structure Type MOL
InChI Key PXTWBDBXLYIQNL-WOJBJXKFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.6
MW (Da)
2.93
ALogP
6
HBA
1
HBD
70.1
PSA (Ų)
0.74
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 C23H28N2O4S
MW 428.55
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.01

Data from ChEMBL 36 via Core Engine