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Compound Detail

CHEMBL4857926

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Cc1cccn2c(-c3ccc(-c4cnn(C)c4)s3)cnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4857926
Phase Preclinical
Structure Type MOL
InChI Key VPHHKPZQCBCAPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
3.77
ALogP
5
HBA
0
HBD
35.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N4S
MW 294.38
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -1.94

Literature References

PubMed DOI Target Context # Activities
34479037 10.1016/j.ejmech.2021.113776 Receptor-type tyrosine-protein kinase FLT3 1
34479037 10.1016/j.ejmech.2021.113776 Serine/threonine-protein kinase Nek2 1

Data from ChEMBL 36 via Core Engine