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Compound Detail

CHEMBL6035709

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CC(C)C1(C)Oc2cnccc2-c2[nH]c(C(N)=O)cc21

Basic Information

ChEMBL ID CHEMBL6035709
Phase Preclinical
Structure Type MOL
InChI Key IVMAILZOXLZXTB-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
2.44
ALogP
3
HBA
2
HBD
81.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N3O2
MW 271.32
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.14

Activity Summary

IC50 3 meas. best 7.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CDK8/Cyclin C
CHEMBL3038474
IC50 7.51 7.51 31.1 1
Serine/threonine-protein kinase haspin
CHEMBL1075163
IC50 7.28 7.28 52.9 1
Cyclin-C/Cyclin-dependent kinase 19
CHEMBL3883323
IC50 7.01 7.01 97.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine