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Compound Detail

CHEMBL3652912

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COc1cccc(CNc2cccc(-c3cc(N[C@H]4CC[C@H](N)CC4)ncc3Cl)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3652912
Phase Preclinical
Structure Type MOL
InChI Key PGDBGIZMLDXYSN-IYARVYRRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.0
MW (Da)
5.10
ALogP
6
HBA
3
HBD
85.1
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28ClN5O
MW 437.98
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.15

Activity Summary

IC50 1 meas. best 10.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-T1
CHEMBL2108
 IC50 10.89 10.89 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclin-T1 IC50 = 0.01288 nM 10.89 IMAP Assay: Cdk9/cyclinT1 is purchased from Millipore, cat #14-685. The final to... -

Data from ChEMBL 36 via Core Engine