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Compound Detail

CHEMBL5986595

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CNC(=O)c1ccc(-c2ccnc3[nH]c(C4=CCNCC4)cc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5986595
Phase Preclinical
Structure Type MOL
InChI Key OKDVOYKSNMQABQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
2.97
ALogP
3
HBA
3
HBD
69.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N4O
MW 332.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.20

Activity Summary

IC50 1 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CDK9/cyclin T1
CHEMBL2111389
 IC50 8.22 8.22 6.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CDK9/cyclin T1 IC50 = 6.0 nM 8.22 LANCE ULight TR-FRET Kinase Assay: CDK9 enzyme activities were measured using LA... -

Data from ChEMBL 36 via Core Engine