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Compound Detail

CHEMBL1181545

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Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(-c3ccccn3)cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181545
Phase Preclinical
Structure Type MOL
InChI Key YAPUFQGPVLJLBL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

596.7
MW (Da)
5.86
ALogP
9
HBA
1
HBD
129.1
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H32N6O4S
MW 596.71
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness -1.33

Data from ChEMBL 36 via Core Engine