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Compound Detail

CHEMBL4439168

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N=C(N)NCCC[C@H](NC(=O)c1ccc(Cc2ccccc2)s1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4439168
Phase Preclinical
Structure Type MOL
InChI Key PZNQTKBSKPFQBQ-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.5
MW (Da)
1.79
ALogP
4
HBA
5
HBD
128.3
PSA (Ų)
0.26
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N4O3S
MW 374.47
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
31910011 10.1021/acs.jmedchem.9b00927 C3a anaphylatoxin chemotactic receptor 4

Data from ChEMBL 36 via Core Engine