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Compound Detail

CHEMBL5427761

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O=C(NCC1CCN(c2cnc(-c3ccccc3)c(-c3ccccc3)n2)CC1)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5427761
Phase Preclinical
Structure Type MOL
InChI Key TYSSHZNIGUKYTP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
4.55
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N4O
MW 412.54
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 5.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SKP1-SKP2-CKS1
CHEMBL5482973
 IC50 5.48 5.48 3300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SKP1-SKP2-CKS1 IC50 = 3300.0 nM 5.48 Inhibition of GST-tagged Skp2/Skp1 (unknown origin)/His6-tagged Cks1 (unknown or... 37204466

Literature References

PubMed DOI Target Context # Activities
37204466 10.1021/acs.jmedchem.2c01675 SKP1-SKP2-CKS1 1

Data from ChEMBL 36 via Core Engine