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Compound Detail

CHEMBL4165740

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O=C(Nc1ccccc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC1(c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4165740
Phase Preclinical
Structure Type MOL
InChI Key YEUFFJBHCLNGAD-RUZDIDTESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

452.6
MW (Da)
4.75
ALogP
2
HBA
4
HBD
86.0
PSA (Ų)
0.31
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28N4O2
MW 452.56
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
29102463 10.1016/j.ejmech.2017.09.023 N-formyl peptide receptor 2 4
29102463 10.1016/j.ejmech.2017.09.023 fMet-Leu-Phe receptor 2
29102463 10.1016/j.ejmech.2017.09.023 ADMET 1

Data from ChEMBL 36 via Core Engine