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Compound Detail

CHEMBL1761744

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CC(C)C1S/C(=N\N=C2/C(=O)Nc3ccc(Cl)cc32)N(c2ccc(O)cc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1761744
Phase Preclinical
Structure Type MOL
InChI Key JVGJJXMJRSUNCP-GFMRDNFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.9
MW (Da)
3.86
ALogP
6
HBA
2
HBD
94.4
PSA (Ų)
0.73
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 C20H17ClN4O3S
MW 428.90
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.68

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