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Compound Detail

CHEMBL4757518

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CC(=O)NCCCC[C@H](NC(=O)CNC(=O)CN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4757518
Phase Preclinical
Structure Type MOL
InChI Key OPMYELSGWPAEBC-OXCFDMGDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

885.0
MW (Da)
-5.77
ALogP
13
HBA
13
HBD
383.4
PSA (Ų)
0.03
QED
3
Ro5 Violations
31
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H64N12O13
MW 884.99
Aromatic Rings 0
Heavy Atoms 62
NP-Likeness -0.20

Literature References

PubMed DOI Target Context # Activities
33084328 10.1021/acs.jmedchem.0c01178 ATPase family AAA domain-containing protein 2B 1

Data from ChEMBL 36 via Core Engine