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Compound Detail

CHEMBL285808

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CCCC[C@H](N)C(=O)N[C@H](C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL285808
Phase Preclinical
Structure Type BOTH
InChI Key MMCPERBVMLTZAY-XBCHUWLYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

902.1
MW (Da)
2.20
ALogP
10
HBA
8
HBD
269.2
PSA (Ų)
0.06
QED
2
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C47H67N9O9
MW 902.11
Aromatic Rings 3
Heavy Atoms 65
NP-Likeness 0.14

Literature References

PubMed DOI Target Context # Activities
2455051 10.1021/jm00402a028 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine