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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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