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Compound Detail

CHEMBL1186809

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CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O

Basic Information

ChEMBL ID CHEMBL1186809
Phase Preclinical
Structure Type MOL
InChI Key WLZBUJPAVQWCNF-VWLOTQADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
3.12
ALogP
7
HBA
4
HBD
120.4
PSA (Ų)
0.30
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 C26H32N4O4S
MW 496.63
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine