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

CHEMBL4786013

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
C#CCCC(=O)NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4786013
Phase Preclinical
Structure Type MOL
InChI Key YJESDAXOEBZMFX-XQUALCHDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

699.8
MW (Da)
-2.56
ALogP
9
HBA
11
HBD
294.0
PSA (Ų)
0.04
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H45N9O9
MW 699.77
Aromatic Rings 1
Heavy Atoms 50
NP-Likeness 0.68

Literature References

PubMed DOI Target Context # Activities
33417771 10.1021/acs.jmedchem.0c01387 BT-549 2
33417771 10.1021/acs.jmedchem.0c01387 A549 2

Data from ChEMBL 36 via Core Engine