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Compound Detail

CHEMBL5078023

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O=C(N[C@@H]1CCNC1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5078023
Phase Preclinical
Structure Type MOL
InChI Key UKMBVWVIQHGQEM-OAHLLOKOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

531.4
MW (Da)
3.82
ALogP
6
HBA
4
HBD
128.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20Cl2N6O3S
MW 531.43
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.89

Literature References

PubMed DOI Target Context # Activities
34931844 10.1021/acs.jmedchem.1c01601 Serine/threonine-protein kinase Sgk1 2

Data from ChEMBL 36 via Core Engine