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Compound Detail

CHEMBL2018007

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CS(=O)(=O)Nc1cccc(-c2cnc(N)c(C(=O)N3CCC(O)CC3)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2018007
Phase Preclinical
Structure Type MOL
InChI Key KEJXYSKAAOKKSD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.4
MW (Da)
0.69
ALogP
7
HBA
3
HBD
138.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N5O4S
MW 391.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
22425453 10.1016/j.bmcl.2012.02.087 Tyrosine-protein kinase receptor TYRO3 1

Data from ChEMBL 36 via Core Engine