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Compound Detail

CHEMBL4104774

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CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCNC/C=C\C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4104774
Phase Preclinical
Structure Type MOL
InChI Key FKCFHZKTLKUCIY-UGEZWFRVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

534.7
MW (Da)
-0.52
ALogP
7
HBA
5
HBD
174.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H42N6O6
MW 534.66
Aromatic Rings 0
Heavy Atoms 38
NP-Likeness 0.75

Literature References

PubMed DOI Target Context # Activities
29461833 10.1021/acs.jmedchem.7b01353 Apelin receptor 1

Data from ChEMBL 36 via Core Engine