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Compound Detail

CHEMBL5075513

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CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C/C=C\C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CO)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5075513
Phase Preclinical
Structure Type MOL
InChI Key HISOUZQWCABVPP-WRRUFYKTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

668.8
MW (Da)
-3.40
ALogP
10
HBA
12
HBD
317.0
PSA (Ų)
0.04
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H52N10O8
MW 668.80
Aromatic Rings 0
Heavy Atoms 47
NP-Likeness 0.89

Literature References

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

Data from ChEMBL 36 via Core Engine