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Compound Detail

CHEMBL3652958

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Fc1cccc(CNc2cccc(-c3cc(N[C@@H]4CCCNC4)ncc3Cl)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3652958
Phase Preclinical
Structure Type MOL
InChI Key DRSVGIDJQGJGIF-QGZVFWFLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.9
MW (Da)
4.71
ALogP
5
HBA
3
HBD
61.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23ClFN5
MW 411.91
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.44

Activity Summary

IC50 1 meas. best 10.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-T1
CHEMBL2108
 IC50 10.96 10.96 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclin-T1 IC50 = 0.011 nM 10.96 IMAP Assay: Cdk9/cyclinT1 is purchased from Millipore, cat #14-685. The final to... -

Data from ChEMBL 36 via Core Engine