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

CHEMBL4850550

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
COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3cc(COC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@@H]65)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4850550
Phase Preclinical
Structure Type MOL
InChI Key CEPSFXMHDDUIBM-IEITWXKJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

707.8
MW (Da)
3.02
ALogP
14
HBA
3
HBD
181.6
PSA (Ų)
0.15
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H37N5O10S
MW 707.76
Aromatic Rings 3
Heavy Atoms 50
NP-Likeness 0.25

Literature References

PubMed DOI Target Context # Activities
32992133 10.1016/j.ejmech.2020.112830 A549 1
32992133 10.1016/j.ejmech.2020.112830 MCF7 1
32992133 10.1016/j.ejmech.2020.112830 SW480 1
32992133 10.1016/j.ejmech.2020.112830 SMMC-7721 1
32992133 10.1016/j.ejmech.2020.112830 HL-60 1

Data from ChEMBL 36 via Core Engine