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Compound Detail

CHEMBL5400666

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Cl.O=C1Cn2ncc(Cl)c2-c2cc(C(=O)N[C@@H]3CNCC[C@H]3c3ccc(F)c(F)c3)sc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5400666
Phase Preclinical
Structure Type MOL
InChI Key KWRREOGCIQXWNH-DFIJPDEKSA-N
Parent Compound CHEMBL5498590
Active Moiety CHEMBL5498590
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

477.9
MW (Da)
3.37
ALogP
6
HBA
3
HBD
88.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19Cl2F2N5O2S
MW 514.39
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
37749892 10.1021/acs.jmedchem.3c00829 N2a 4
37749892 10.1021/acs.jmedchem.3c00829 Rho-associated protein kinase 2 1
37749892 10.1021/acs.jmedchem.3c00829 RAC-alpha serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine