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Compound Detail

CHEMBL1187488

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COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C4(CN5CCOCC5)CC4)cc2)CC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187488
Phase Preclinical
Structure Type MOL
InChI Key XAZLNIYIFUKCHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

536.6
MW (Da)
2.85
ALogP
8
HBA
0
HBD
94.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32N4O5S
MW 536.65
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.93

Data from ChEMBL 36 via Core Engine