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Compound Detail

CHEMBL3741015

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Nc1cccc(-n2cc(C(=O)N3CCN(C(=O)C4COc5ccccc5C4=O)CC3)c3cc(N)ccc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3741015
Phase Preclinical
Structure Type MOL
InChI Key MCPRZFWCOJUNHZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

509.6
MW (Da)
2.97
ALogP
7
HBA
2
HBD
123.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H27N5O4
MW 509.57
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00023H Tumor necrosis factor 3
32955874 10.1021/acs.jmedchem.0c01316 Tumor necrosis factor ligand superfamily member 11 2
32955874 10.1021/acs.jmedchem.0c01316 BMMC 1

Data from ChEMBL 36 via Core Engine