SGI-1776

Search structure
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 72AUA0603W

Structure
InChI Key MHXGEROHKGDZGO-UHFFFAOYSA-N
Smile CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
InChI
InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H22F3N5O
Molecular Weight 405.42
AlogP 4.05
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 54.69
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Serine/threonine-protein kinase PIM inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKN family
- - 35424 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase RSK subfamily
- - 23762 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase QIK subfamily
- - 6124 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PIM family
200 7-48 43 12-16 -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase RSKb subfamily
- - 23762 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- - 7924 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase Haspin family
- 34 - - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - 8535 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase SLK subfamily
- - 2159 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase IRAK family
- - 26 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR1
- - 458 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 21-44 143 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- - 3217 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 240-2670 - - -
Enzyme Kinase Protein kinase regulatory subunit
- - 23 - -
Enzyme Transferase
- - - - 9.458-87.57
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -15.5--4.55
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 511-1000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia 1 D007938 ClinicalTrials
Lymphoma, Non-Hodgkin 1 D008228 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1025065-69-3
ChEBI 95061
ChEMBL CHEMBL1952329
DrugBank DB12494
EPA CompTox DTXSID10647329
FDA SRS 72AUA0603W
Guide to Pharmacology 8784
PubChem 24795070
SureChEMBL SCHEMBL102498
ZINC ZINC000068205235
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