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Compound Detail

CHEMBL4785407

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O=c1c(NCc2ccccn2)c(Nc2ccc(N3CCSCC3)cc2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4785407
Phase Preclinical
Structure Type MOL
InChI Key IQUGUGAWXKMBBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
4
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
2.59
ALogP
7
HBA
2
HBD
74.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N4O2S
MW 380.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.73

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.21 hr Mus musculus
T1/2 0.2017 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
32927218 10.1016/j.ejmech.2020.112538 ADMET 4
32927218 10.1016/j.ejmech.2020.112538 Unchecked 1
32927218 10.1016/j.ejmech.2020.112538 Vero 1
32927218 10.1016/j.ejmech.2020.112538 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine