EBVACICLIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: 3B512HJD65

Structure
InChI Key QIEKHLDZKRQLLN-FOIQADDNSA-N
Smile C[C@@]1(O)CCC[C@H]1n1c(=O)c(C(F)F)cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc21
InChI
InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H27F2N5O4S
Molecular Weight 471.53
AlogP 2.04
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 117.42
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 32.0

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 CDC2 subfamily
- - - 0 -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- - - 0 -
Other cytosolic protein
- - - 0 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms, Male 2 D018567 ClinicalTrials
Fallopian Tube Neoplasms 2 D005185 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4446357
FDA SRS 3B512HJD65
Guide to Pharmacology 10426
PDB WG1
SureChEMBL SCHEMBL19857421
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