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Compound Detail

CHEMBL3652976

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N[C@H]1CC[C@H](Nc2cc(-c3cccc(OCc4cccc(F)c4)n3)c(Cl)cn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3652976
Phase Preclinical
Structure Type MOL
InChI Key XVVJNOZQKOXYQC-IYARVYRRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

426.9
MW (Da)
5.20
ALogP
5
HBA
2
HBD
73.1
PSA (Ų)
0.57
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24ClFN4O
MW 426.92
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.45

Activity Summary

IC50 1 meas. best 10.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-T1
CHEMBL2108
 IC50 10.81 10.81 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclin-T1 IC50 = 0.01532 nM 10.81 IMAP Assay: Cdk9/cyclinT1 is purchased from Millipore, cat #14-685. The final to... -

Data from ChEMBL 36 via Core Engine