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Compound Detail

CHEMBL3652923

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NC[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4CCCCC4)n3)c(Cl)cn2)CC1

Basic Information

ChEMBL ID CHEMBL3652923
Phase Preclinical
Structure Type MOL
InChI Key JFSVBJSPUAJNKP-UAPYVXQJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.0
MW (Da)
5.72
ALogP
5
HBA
3
HBD
75.9
PSA (Ų)
0.53
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 C24H34ClN5
MW 428.02
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 10.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-T1
CHEMBL2108
IC50 10.95 10.95 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclin-T1 IC50 = 0.01113 nM 10.95 IMAP Assay: Cdk9/cyclinT1 is purchased from Millipore, cat #14-685. The final to... -

Data from ChEMBL 36 via Core Engine