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Compound Detail

CHEMBL4595646

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CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595646
Phase Preclinical
Structure Type MOL
InChI Key JRSSKKAVIYPECV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
4.27
ALogP
5
HBA
2
HBD
99.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N3O4S
MW 467.59
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.51

Data from ChEMBL 36 via Core Engine