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Compound Detail

CHEMBL5094794

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CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C/C=C\C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5094794
Phase Preclinical
Structure Type MOL
InChI Key XTFBNGGIYJMMHB-PYLCHZJMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

808.0
MW (Da)
-3.23
ALogP
11
HBA
12
HBD
340.4
PSA (Ų)
0.03
QED
3
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H61N11O10
MW 807.95
Aromatic Rings 0
Heavy Atoms 57
NP-Likeness 0.34

Literature References

PubMed DOI Target Context # Activities
34982553 10.1021/acs.jmedchem.1c01708 Apelin receptor 1

Data from ChEMBL 36 via Core Engine