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

CHEMBL4858648

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
Cn1ccc2c(-c3ccccc3)nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4858648
Phase Preclinical
Structure Type MOL
InChI Key LXEGVUZMRWTIPS-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

428.3
MW (Da)
4.49
ALogP
6
HBA
3
HBD
96.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15Cl2N7O
MW 428.28
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.55

Activity Summary

EC50 3 meas.

Pharmacokinetic Data

Parameter Value Units Species
Ka 5.21 10^4/M/s Homo sapiens

Literature References

PubMed DOI Target Context # Activities
34411894 10.1016/j.ejmech.2021.113775 Sphingosine 1-phosphate receptor 2 3
34411894 10.1016/j.ejmech.2021.113775 Unchecked 1
34411894 10.1016/j.ejmech.2021.113775 HCT-116 1
34411894 10.1016/j.ejmech.2021.113775 NCM460 1

Data from ChEMBL 36 via Core Engine