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Compound Detail

CHEMBL448503

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O=C(CCN1CCCC1)Nc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccc(C(=O)Nc4ccc(NC(=O)CCN5CCCC5)cc4)cc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL448503
Phase Preclinical
Structure Type MOL
InChI Key ATRFBARYMDSKML-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

730.9
MW (Da)
6.68
ALogP
7
HBA
6
HBD
164.0
PSA (Ų)
0.08
QED
3
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H46N8O5
MW 730.87
Aromatic Rings 4
Heavy Atoms 54
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
19053833 10.1021/jm801245v Unchecked 4
19053833 10.1021/jm801245v MCF7 2
19053833 10.1021/jm801245v A549 2
19053833 10.1021/jm801245v ADMET 1

Data from ChEMBL 36 via Core Engine