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1-7a-B1 | 1-7a-B1 : Inhibitor of CDK9
RATINGS:
Cellular Use: (1 reviews)

In Model Organisms: (1 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
CDK9
  • IC50:6.51 nM
  • Kd:8868 nM
  • GI50:150 ± 5 nM
  • GI50:190 ± 8 nM
Inhibitor
up to 1 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Inhibitory activity of 1-7a-B1 against several CDK subtypes (CDK1, CDK2, CDK4, and CDK6) was assesse ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
The kinase selectivity profile of 1-7a-B1 was evaluated by determining the percent inhibition agains ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
GI50 values of a panel of 15 representative cell lines for different types of cancer and NCM460 (a n ...

Potency
Cellular
In Vitro

CDK9

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.5c00472

In Vivo Validations

Mouse
Dose: 2 mg/Kg
Route of delivery: Intravenous
Plasma half life: 0.294 h
Systemic clearance: 81.8 mL/min/Kg
Area Under the Curve:: 403 h × ng/mL
Volume of Distribution at Steady-State: 1.65 L/Kg

DOI Reference: 10.1021/acs.jmedchem.5c00472

Dose: 30 mg/Kg
Route of delivery: Oral
Plasma half life: 0.783 h
Systemic clearance: 81.73 mL/min/Kg
Cmax: 302 ng/mL
Tmax: 0.25 h
Area Under the Curve:: 897 h × ng/mL
Bioavailability: 14.7%
Volume of Distribution at Steady-State: 5.54 L/Kg

DOI Reference: 10.1021/acs.jmedchem.5c00472

Dose: 30 mg/Kg
Route of delivery: Oral Emulsion
Plasma half life: 0.920 h
Systemic clearance: 81.84 mL/min/Kg
Cmax: 1017 ng/mL
Tmax: 0.5 h
Area Under the Curve:: 1607 h × ng/mL
Bioavailability: 26.4%
Volume of Distribution at Steady-State: 6.52 L/Kg

DOI Reference: 10.1021/acs.jmedchem.5c00472

Chemical Information

Molecular Formula C27H30FN5O3
SMILEs CC(C)Oc1cc(F)ccc1-c1ccnc(NC(=O)Nc2cccc(C(=O)N3CCN(C)CC3)c2)c1
InChI InChI=1S/C27H30FN5O3/c1-18(2)36-24-17-21(28)7-8-23(24)19-9-10-29-25(16-19)31-27(35)30-22-6-4-5-20(15-22)26(34)33-13-11-32(3)12-14-33/h4-10,15-18H,11-14H2,1-3H3,(H2,29,30,31,35)
Molecular weight 491.23 Da
AlogP 4.706500000000004
HBond acceptors 8
HBond donors 2
Atoms 66

References

Publications

Cross References

Expert Reviews

by SERP
(on 28 Aug 2025 )
Cellular Use Rating
In Model Organisms
In vitro selectivity against 80 kinases was tested at 100 nM, but not tested at 1 micromolar concentration. Additionally, while some cell cycle CDKs were tested, no other transcriptional CDKs (CDK7, CDK8,...
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