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Compound Detail

CHEMBL1188827

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COc1ccc(C(SCCN2CCC[C@@H](C(=O)O)C2)c2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188827
Phase Preclinical
Structure Type MOL
InChI Key OARNNFYJLFXDNW-LJQANCHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

415.6
MW (Da)
4.32
ALogP
5
HBA
1
HBD
59.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29NO4S
MW 415.56
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.66

Data from ChEMBL 36 via Core Engine