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Compound Detail

CHEMBL1186563

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CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186563
Phase Preclinical
Structure Type MOL
InChI Key FKGYWDPSUXSSQK-MHZLTWQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

494.7
MW (Da)
4.11
ALogP
5
HBA
3
HBD
95.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34N2O4S
MW 494.66
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.32

Data from ChEMBL 36 via Core Engine