Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL502382

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(CN1CCCC1)Nc1cccc(NC(=O)c2ccc(NC(=O)Nc3ccc(C(=O)Nc4cccc(NC(=O)CN5CCCC5)c4)cc3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL502382
Phase Preclinical
Structure Type MOL
InChI Key NUBIJYMSASCUHP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

702.8
MW (Da)
5.90
ALogP
7
HBA
6
HBD
164.0
PSA (Ų)
0.11
QED
3
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H42N8O5
MW 702.82
Aromatic Rings 4
Heavy Atoms 52
NP-Likeness -1.06

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