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Compound Detail

CHEMBL3092024

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COc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1Nc1nccc(NC2CCCCC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3092024
Phase Preclinical
Structure Type MOL
InChI Key YUMNAPKUBQCSKT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

460.6
MW (Da)
3.06
ALogP
8
HBA
2
HBD
99.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H32N6O3S
MW 460.60
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.70

Literature References

PubMed DOI Target Context # Activities
24183538 10.1016/j.bmcl.2013.10.008 Dual specificity protein kinase TTK 1

Data from ChEMBL 36 via Core Engine