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Compound Detail

CHEMBL1178201

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C[C@@H]1CN(C(=O)N2Cc3c(C(=O)OC(C)(C)C)ncn3-c3ccc(Cl)cc32)C[C@H](C)N1S(C)(=O)=O

Basic Information

ChEMBL ID CHEMBL1178201
Phase Preclinical
Structure Type MOL
InChI Key JKGYPXKWAHMZKR-GASCZTMLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

524.0
MW (Da)
3.28
ALogP
7
HBA
0
HBD
105.0
PSA (Ų)
0.56
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30ClN5O5S
MW 524.04
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.69

Data from ChEMBL 36 via Core Engine