GENTIAN VIOLET

Search structure
Trade Names:
Synonyms:
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 PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 16000 - - -
Other cytosolic protein
- 5800 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 110
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 11057
SureChEMBL SCHEMBL9171
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