SENEXIN B

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: E2X758P2BZ

Structure
InChI Key VNADJTWHOAMTLY-UHFFFAOYSA-N
Smile CN1CCN(C(=O)c2ccc3cc(CCNc4ncnc5ccc(C#N)cc45)ccc3c2)CC1
InChI
InChI=1S/C27H26N6O/c1-32-10-12-33(13-11-32)27(34)23-6-5-21-14-19(2-4-22(21)16-23)8-9-29-26-24-15-20(17-28)3-7-25(24)30-18-31-26/h2-7,14-16,18H,8-13H2,1H3,(H,29,30,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H26N6O
Molecular Weight 450.55
AlogP 3.7
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 85.15
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 34.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK8 subfamily
- 24-24 - - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family
- - - - 59
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase KHS subfamily
- - - - 69
Other cytosolic protein
- 24-24 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 1 D001943 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4076837
FDA SRS E2X758P2BZ
SureChEMBL SCHEMBL17702017
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