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Compound Detail

CHEMBL503558

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O=C(CCCN1CCCC1)Nc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccc(C(=O)Nc4ccc(NC(=O)CCCN5CCCC5)cc4)cc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL503558
Phase Preclinical
Structure Type MOL
InChI Key AFQYPOASRYNRBT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

758.9
MW (Da)
7.46
ALogP
7
HBA
6
HBD
164.0
PSA (Ų)
0.07
QED
3
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C43H50N8O5
MW 758.92
Aromatic Rings 4
Heavy Atoms 56
NP-Likeness -0.77

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