LUTEOLIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: KUX1ZNC9J2

Structure
InChI Key IQPNAANSBPBGFQ-UHFFFAOYSA-N
Smile O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
InChI
InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10O6
Molecular Weight 286.24
AlogP 2.28
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 1.0
Polar Surface Area 111.13
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A1
- 1249 - 890-2400 -
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 3370 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1B Cytochrome P450 1B1
- 79-360 - 56 -
Enzyme Hydrolase
- 11000-53300 - 19600 15-21
Enzyme Isomerase
- 660-5000 - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC alpha subfamily
- - - - 70
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC delta subfamily
- - - - 70
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC eta subfamily
- - - - 70
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC iota subfamily
- - - - 70
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family
- - - - 70
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PDHK subfamily
- - - - 31
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase DAPK family
- 21000 - - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MAPKAPK family CAMK protein kinase MNK subfamily
- 179 - - 100-100
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 20000 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK5 subfamily
- 3800 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- 1500 - - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- 500 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 830 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- - - 2380 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Syk family
4500 12000 - - -
Enzyme Kinase Protein kinase regulatory subunit
- 3800 - - -
Enzyme Lyase
- 7700 - 293 -
Enzyme Oxidoreductase
- 550-11540 - 1900 6-34
Enzyme Phosphatase Protein Phosphatase Tyrosine protein phosphatase
- - - - 20-41
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C1A family
- 27300 - - -
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- 10050 - - -
Enzyme Protease Metallo protease Metallo protease MF clan Metallo protease M17 family
- 49600 - - -
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 12700 - 10100 29
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- 120 - - -
Enzyme Protease Threonine protease Threonine protease PBT clan Threonine protease T1A subfamily
- 1300-1500 - - -
Enzyme Transferase
- 1072-1100 - - -
Enzyme
4500 11000-53300 - 800-1800 6-34
Epigenetic regulator Reader Bromodomain
- - 12900 - -
Epigenetic regulator Writer Protein methyltransferase SET domain
- 6080 - - -
Ion channel Other ion channel Miscellaneous ion channel Bcl-2 family
- - - - 46
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Carboxylic acid receptor Kynurenic acid receptor
3200-7240 18600 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- - - 1550-1660 -
Membrane receptor
3200-7240 18600 - 1550-1660 87
Other cytosolic protein
- 6200 - - -
Secreted protein
- 6400-7000 70 - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 3
2300 - - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group H Nuclear hormone receptor subfamily 1 group H member 3
- - - - 41-64
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group H
- - - - 41-64
Transcription factor
2300 22000 - - 41-64
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
1450 - - - -
Transporter Primary active transporter ATP-binding cassette ABCG subfamily
- 8900 - - -
Unclassified protein
- 22000 - - 32-84

Indications

Mesh Heading Maximum Phase Reference
Carcinoma; Carcinoma, Squamous Cell; Tongue Neoplasms Early Phase 1 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 491-70-3
ChEBI 15864
ChEMBL CHEMBL151
DrugBank DB15584
EPA CompTox DTXSID4074988
FDA SRS KUX1ZNC9J2
Human Metabolome Database HMDB0005800
Guide to Pharmacology 5215
KEGG C01514
PDB LU2
PubChem 5280445
SureChEMBL SCHEMBL20426
ZINC ZINC000018185774
CONTENTS