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Compound Detail

CHEMBL6036038

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Cc1cc(=O)c2c(O)cc(O)c(C3CCN(C)CC3O)c2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6036038
Phase Preclinical
Structure Type MOL
InChI Key MOCVYVBNJQIVOV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

305.3
MW (Da)
1.29
ALogP
6
HBA
3
HBD
94.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H19NO5
MW 305.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.48

Activity Summary

IC50 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CDK9/cyclin T1
CHEMBL2111389
 IC50 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CDK9/cyclin T1 IC50 = 550.0 nM 6.26 Inhibition Assay: CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM ... -

Data from ChEMBL 36 via Core Engine