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Compound Detail

CHEMBL1206334

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CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

Basic Information

ChEMBL ID CHEMBL1206334
Phase Preclinical
Structure Type BOTH
InChI Key ZFTPEIAEGCLUII-WYLSNLDWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

992.1
MW (Da)
0.59
ALogP
12
HBA
11
HBD
360.4
PSA (Ų)
0.03
QED
3
Ro5 Violations
29
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C47H61N9O13S
MW 992.12
Aromatic Rings 4
Heavy Atoms 70
NP-Likeness 0.08

Data from ChEMBL 36 via Core Engine