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Compound Detail

CHEMBL6011152

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CC1(C)CCn2ncc(-c3cc(NC(=O)[C@H]4CCC[C@@H](N)C4)ncc3F)c2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6011152
Phase Preclinical
Structure Type MOL
InChI Key CHRZVGRJOMIBAW-UONOGXRCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
3.51
ALogP
5
HBA
2
HBD
85.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28FN5O
MW 385.49
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.84

Activity Summary

IC50 1 meas. best 6.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 9
CHEMBL3116
 IC50 6.83 6.83 148.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclin-dependent kinase 9 IC50 = 148.0 nM 6.83 Kinase Assay (High ATP Concentration): Activity of CDK9 was determined in-vitro ... -

Data from ChEMBL 36 via Core Engine