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Compound Detail

CHEMBL1761735

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CN(C)c1ccc(N2C(=O)CS/C2=N\N=C2/C(=O)Nc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1761735
Phase Preclinical
Structure Type MOL
InChI Key HDWPMPWOTAUENM-QOCHGBHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
2.54
ALogP
6
HBA
1
HBD
77.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N5O2S
MW 379.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
21316225 10.1016/j.bmcl.2011.01.077 TAK1/TAB1 1

Data from ChEMBL 36 via Core Engine