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Compound Detail

CHEMBL4855889

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CN1CCN(C(=O)Nc2cc(Cl)nc(Cl)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4855889
Phase Preclinical
Structure Type MOL
InChI Key BIGSRNFAKQPCLT-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

289.2
MW (Da)
2.17
ALogP
3
HBA
1
HBD
48.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14Cl2N4O
MW 289.17
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.88

Activity Summary

EC50 3 meas.

Pharmacokinetic Data

Parameter Value Units Species
Ka 1.98 10^5/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