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Compound Detail

CHEMBL518036

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CC(C)[C@H](NC(=O)[C@@H](N)CS)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL518036
Phase Preclinical
Structure Type BOTH
InChI Key UNFCTSFAVRYQNZ-ABHRYQDASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

476.6
MW (Da)
-2.30
ALogP
8
HBA
8
HBD
205.7
PSA (Ų)
0.10
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H36N6O6S
MW 476.60
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
19072163 10.1021/jm800735d Unchecked 1

Data from ChEMBL 36 via Core Engine