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Compound Detail

CHEMBL4792305

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CC1(C)Oc2cnccc2-c2[nH]c(C(N)=O)c(C3CC3)c21

Basic Information

ChEMBL ID CHEMBL4792305
Phase Preclinical
Structure Type MOL
InChI Key ISQMHRGAJWVQET-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
2.68
ALogP
3
HBA
2
HBD
81.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N3O2
MW 283.33
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.21

Activity Summary

IC50 3 meas. best 9.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-C/Cyclin-dependent kinase 19
CHEMBL3883323
IC50 9.32 9.32 0.5 1
CDK8/Cyclin C
CHEMBL3038474
IC50 8.36 8.36 4.3 1
Serine/threonine-protein kinase haspin
CHEMBL1075163
IC50 7.46 7.46 34.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine