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Compound Detail

CHEMBL4866695

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Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc(C(=O)N(C)C2CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4866695
Phase Preclinical
Structure Type MOL
InChI Key WNXICHQGUVCRLB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.3
MW (Da)
3.47
ALogP
5
HBA
3
HBD
99.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18Cl2N6O2
MW 409.28
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.87

Literature References

PubMed DOI Target Context # Activities
33939425 10.1021/acs.jmedchem.1c00138 Sphingosine 1-phosphate receptor 2 2

Data from ChEMBL 36 via Core Engine