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Compound Detail

CHEMBL5414851

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CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5414851
Phase Preclinical
Structure Type MOL
InChI Key HWIBSYLXLSDVCS-HOCLYGCPSA-N
0
Targets
1
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names

Molecular Properties

464.5
MW (Da)
1.45
ALogP
10
HBA
4
HBD
138.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21FN8O3
MW 464.46
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.36

Activity Summary

Kd 1 meas.

Pharmacokinetic Data

Parameter Value Units Species
Fu 0.22 - Homo sapiens

Literature References

PubMed DOI Target Context # Activities
37427891 10.1021/acs.jmedchem.3c00600 Non-receptor tyrosine-protein kinase TYK2 2
37427891 10.1021/acs.jmedchem.3c00600 ADMET 2
37427891 10.1021/acs.jmedchem.3c00600 Tyrosine-protein kinase JAK1 1
37427891 10.1021/acs.jmedchem.3c00600 Tyrosine-protein kinase JAK2 1
37427891 10.1021/acs.jmedchem.3c00600 Tyrosine-protein kinase JAK3 1
37427891 10.1021/acs.jmedchem.3c00600 No relevant target 1

Data from ChEMBL 36 via Core Engine