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Compound Detail

CHEMBL4597801

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NCc1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN3CCN(CCC(=O)Nc4ccc(cc4)C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)CC3)cc1

Basic Information

ChEMBL ID CHEMBL4597801
Phase Preclinical
Structure Type MOL
InChI Key WJIRJKXWZFCCPS-ZESVVUHVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

809.0
MW (Da)
2.51
ALogP
9
HBA
6
HBD
195.1
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C43H52N8O6S
MW 809.01
Aromatic Rings 4
Heavy Atoms 58
NP-Likeness -0.19

Data from ChEMBL 36 via Core Engine