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Compound Detail

CHEMBL3946537

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CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]nc(-c4cccc(NC(=O)/C=C\C(=O)O)c4)c3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3946537
Phase Preclinical
Structure Type MOL
InChI Key PYEYDCUPUDQXIA-YPKPFQOOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

518.6
MW (Da)
4.91
ALogP
5
HBA
4
HBD
141.2
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N4O5S
MW 518.60
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
27573544 10.1016/j.ejmech.2016.08.026 Aurora kinase A 1
27573544 10.1016/j.ejmech.2016.08.026 Aurora kinase B 1
27573544 10.1016/j.ejmech.2016.08.026 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine