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Compound Detail

CHEMBL3656764

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Cc1ncc(-c2cc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)nc1NCC1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3656764
Phase Preclinical
Structure Type MOL
InChI Key DBASVPRWFZOBPP-QAQDUYKDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.0
MW (Da)
4.02
ALogP
7
HBA
3
HBD
98.0
PSA (Ų)
0.64
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 C22H31ClN6O
MW 430.98
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 10.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-T1
CHEMBL2108
 IC50 10.83 10.83 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclin-T1 IC50 = 0.01485 nM 10.83 IMAP Assay: Cdk9/cyclinT1 is purchased from Millipore, cat #14-685. The final to... -

Data from ChEMBL 36 via Core Engine