TG100-115

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7ACH1U1E2M

Structure
InChI Key UJIAQDJKSXQLIT-UHFFFAOYSA-N
Smile Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1
InChI
InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H14N6O2
Molecular Weight 346.35
AlogP 2.33
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 144.06
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR PI3-kinase p110-delta subunit inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase GRK family AGC protein kinase GRK subfamily
- - 6200 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase NDR family
- - 1800 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase RSK subfamily
- - 220 - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase ABC1 family Atypical protein kinase ABC1-A subfamily
- - 1400 - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family Atypical protein kinase FRAP subfamily
- - 620 - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase RIO family Atypical protein kinase RIO1 subfamily
- - 5800 - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase RIO family Atypical protein kinase RIO2 subfamily
- - 1500 - -
Enzyme Kinase Protein Kinase Atypical protein kinase group
- - 1400 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase BRSK subfamily
- - 1200 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MAPKAPK family CAMK protein kinase MNK subfamily
- - 720 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PKD family
- - 900 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase RSKb subfamily
- - 220 - -
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family CK1 protein kinase CK1-a
- - 1900 - -
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family CK1 protein kinase CK1-g
- - 8700 - -
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family
- - 1200 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CLK family
- - 130 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk1 subfamily
- - 670 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk2 subfamily
- - 5600 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase SRPK family
- - 5200 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- - 1500 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - 1400 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NEK family
- - 3800 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase TTK family
- - 7700 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family
- - 4000 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase FRAY subfamily
- - 2500 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase TAO subfamily
- - 2400 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- - 4000 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase HH498 subfamily
- - 1400 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase TAK1 subfamily
- - 2300 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RAF family
- - 2000-2100 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RIPK family
- - 500 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- - 890-8400 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- - 800-8600 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- - 690 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- - 690 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- - 3500 - -
Enzyme Kinase
- - 800-8600 - -
Enzyme Transferase
- 1200-1200 59-300 - -
Ion channel Voltage-gated ion channel Transient receptor potential channel
- - 8 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myocardial Infarction 1 D009203 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 94691
ChEMBL CHEMBL230011
DrugBank DB05552
EPA CompTox DTXSID20218009
FDA SRS 7ACH1U1E2M
Guide to Pharmacology 5715
PDB B6J
SureChEMBL SCHEMBL360279
ZINC ZINC000006718666
CONTENTS