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Compound Detail

CHEMBL4847413

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Cc1cc(CNC(=O)c2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4847413
Phase Preclinical
Structure Type MOL
InChI Key AAMZULUEZPUVKC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

390.3
MW (Da)
3.73
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.69
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 C18H17Cl2N5O
MW 390.27
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.65

Pharmacokinetic Data

Parameter Value Units Species
CL 85.0 mL.min-1.kg-1 Mus musculus

Literature References

PubMed DOI Target Context # Activities
33939425 10.1021/acs.jmedchem.1c00138 Sphingosine 1-phosphate receptor 2 4
33939425 10.1021/acs.jmedchem.1c00138 ADMET 1

Data from ChEMBL 36 via Core Engine