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Compound Detail

CHEMBL4556174

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N=C(N)NCCC[C@H](NC(=O)c1sc(C(c2ccccc2)c2ccccc2)cc1-c1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4556174
Phase Preclinical
Structure Type MOL
InChI Key PPQUOEXPYZVKST-DEOSSOPVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

526.7
MW (Da)
5.04
ALogP
4
HBA
5
HBD
128.3
PSA (Ų)
0.11
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30N4O3S
MW 526.66
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.13

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