BMS-754807

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Synonyms
Status
Molecule Category Free-form
UNII W9E3353E8J

Structure

InChI Key LQVXSNNAFNGRAH-QHCPKHFHSA-N
Smiles C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1
InChI
InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H24FN9O
Molecular Weight 461.51
AlogP 3.61
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 116.13
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
Insulin receptor inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase AKT family
- 22 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase InsR family
- 1.7-13 - - 87.7
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Musk family
- - - - 75.1
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family
- 4-7 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1.7-7 - - 75.1-87.7
Mus musculus
- 7-22 - - -

Target Conservation

Protein: Insulin receptor
Description: Insulin receptor
Organism : Homo sapiens
P06213 ENSG00000171105
Protein: Insulin-like growth factor I receptor
Description: Insulin-like growth factor 1 receptor
Organism : Homo sapiens
P08069 ENSG00000140443

Cross References

Resources Reference
ChEBI 88339
ChEMBL CHEMBL575448
DrugBank DB15399
FDA SRS W9E3353E8J
Guide to Pharmacology 7952
PDB EBI
PubChem 24785538
SureChEMBL SCHEMBL1810808
ZINC ZINC000043203317
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