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Compound Detail

CHEMBL2030614

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Cc1ccc(C)c(CSc2nc(C3CCN(C)CC3)c(C#N)c(=O)[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2030614
Phase Preclinical
Structure Type MOL
InChI Key YMFBONQHSYPUEV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
3.36
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.66
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 C20H24N4OS
MW 368.51
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.70

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22607683 10.1016/j.bmcl.2012.04.082 Rap guanine nucleotide exchange factor 4 2

Data from ChEMBL 36 via Core Engine