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BAY-9835 | BAY-9835 : Inhibitor of ADAMTS7, ADAMTS12
RATINGS:
Cellular Use: (0 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
ADAMTS7
  • IC50:6 nM
    ADAMTS12
    • IC50:30 nM
      Inhibitor
      100 nM

      Selectivity

      In Vitro Selectivity Assessment
      Potency Assay Off-Target:
      Within target family: Protease panel IC50 [µM]: hADAMTS4 (6.726), hADAMTS5 (9.924), hADAM8 (2.25), h ...

      Potency
      Cellular
      In Vitro

      ADAMTS7

      Mode of Action: Inhibitor

      Structure-Activity-Relationship data available? Yes

      DOI Reference: 10.1021/acs.jmedchem.3c02036

      ADAMTS12

      Mode of Action: Inhibitor

      Structure-Activity-Relationship data available? Yes

      DOI Reference: 10.1021/acs.jmedchem.3c02036

      In Vivo Validations

      Mouse
      Dose: 0.3 mg/Kg
      Route of delivery: Intravenous
      Plasma half life: 2.1 h
      Systemic clearance: 1.10 L h–1 kg–1
      Area Under the Curve:: 1.5 kg L–1 h
      Volume of Distribution at Steady-State: 1.6 L/Kg

      DOI Reference: 10.1021/acs.jmedchem.3c02036

      Dose: 1.0 mg/Kg
      Route of delivery: Oral
      Plasma half life: 2.5 h
      Tmax: 1.0 h
      Area Under the Curve:: 2.0 kg L–1 h
      Bioavailability: 100%

      DOI Reference: 10.1021/acs.jmedchem.3c02036

      Rat
      Dose: 0.3 mg/Kg
      Route of delivery: Intravenous
      Plasma half life: 3.6 h
      Systemic clearance: 0.55 L h–1 kg–1
      Area Under the Curve:: 3.1 kg L–1 h
      Volume of Distribution at Steady-State: 1.3 L/Kg

      DOI Reference: 10.1021/acs.jmedchem.3c02036

      Dose: 1 mg/Kg
      Route of delivery: Oral
      Plasma half life: 3.7 h
      Tmax: 2 h
      Area Under the Curve:: 3.0 kg L–1 h
      Bioavailability: 96%

      DOI Reference: 10.1021/acs.jmedchem.3c02036

      Dog
      Dose: 0.3 mg/Kg
      Route of delivery: Intravenous
      Plasma half life: 22 h
      Systemic clearance: 0.02 L h–1 kg–1
      Area Under the Curve:: 88 kg L–1 h
      Volume of Distribution at Steady-State: 0.4 L/Kg

      DOI Reference: 10.1021/acs.jmedchem.3c02036

      Dose: 1 mg/Kg
      Route of delivery: Oral
      Plasma half life: 25 h
      Tmax: 5 h
      Area Under the Curve:: 68 kg L–1 h
      Bioavailability: 77%

      DOI Reference: 10.1021/acs.jmedchem.3c02036

      Negative Control Compounds

      BAY-1880
      Notes: BAY-1880: Biochemical enzymatic assay IC50: hADAMTS7 (23.4 µM), hADAMTS4 (> 50 µM); hADAMTS12 (n.d.) In-house kinase panel (14): all IC50 > 20 µM
      SMILES: Cn1c(ccn1)[C@]1(CNC(c2ccc(cc2c2ccc(cc2)C(F)(F)F)F)=O)C(NC(N1)=O)=O

      Chemical Information

      Molecular Formula C22H16F5N5O3
      SMILEs Cn1nccc1[C@]1(CNC(=O)c2ccc(F)c(F)c2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O
      InChI InChI=1S/C22H16F5N5O3/c1-32-15(8-9-29-32)21(19(34)30-20(35)31-21)10-28-18(33)13-6-7-14(23)17(24)16(13)11-2-4-12(5-3-11)22(25,26)27/h2-9H,10H2,1H3,(H,28,33)(H2,30,31,34,35)/t21-/m0/s1
      Molecular weight 493.12 Da
      AlogP 2.8488000000000007
      HBond acceptors 8
      HBond donors 3
      Atoms 51

      Expert Reviews

      by SERP
      (on 21 Nov 2024 )
      In Model Organisms
      This probe targets an extracellular protein and therefore does not require an intracellular evaluation. Good biochemical activity on ADAMTS7 and ADAMTS12 with high selectivity over related proteins. Biochemical...
      Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria