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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22N6O3
Molecular Weight 418.4485
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FUTIBATINIB

SMILES

[H][C@@]1(CCN(C1)C(=O)C=C)N2N=C(C#CC3=CC(OC)=CC(OC)=C3)C4=C(N)N=CN=C24

InChI

InChIKey=KEIPNCCJPRMIAX-HNNXBMFYSA-N
InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H22N6O3
Molecular Weight 418.4485
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
3.9 nM [IC50]
1.3 nM [IC50]
1.6 nM [IC50]
8.3 nM [IC50]

PubMed

Substance Class Chemical
Record UNII
4B93MGE4AL
Record Status Validated (UNII)
Record Version