GENTIAN VIOLET

Search structure
Trade Names:
Synonyms:
GVS
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: J4Z741D6O5

Structure
InChI Key ZXJXZNDDNMQXFV-UHFFFAOYSA-M
Smile CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-]
InChI
InChI=1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H30ClN3
Molecular Weight 407.99
AlogP 4.46
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 9.49
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 824.4 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 3633.7 - - -
Enzyme Hydrolase
- 350 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 473 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 2148 - - -
Enzyme Transferase
- 16000 - - 6.203-15.66
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- 953.2 - - 59.67-79.1
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neurokinin receptor
- 1679 - 560 -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- 1540 - 616 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 1005 - 140 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 1258 - 1990 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 3102 - 1059 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 1155 - 1136 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 2627 - 751 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- 3365 - 1889 -
Other cytosolic protein
- 5800 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
- 5570 - 3713 -
Transcription factor
- 5570 - 3713 115.9
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 4069 - 3233 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 109.58
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 81.4-106.7
Unclassified protein
- 11000-15000 - - 75-93

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 3 D015658 ClinicalTrials
Candidiasis, Oral 3 D002180 ClinicalTrials
Hidradenitis Suppurativa 2 D017497 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 41688
ChEMBL CHEMBL64894
EPA CompTox DTXSID5020653
FDA SRS J4Z741D6O5
PubChem 23424024
SureChEMBL SCHEMBL9171
CONTENTS