Details of the Drug

General Information of Drug (ID: DMBFCTZ)

Drug Name

3h-Indole-5,6-Diol

Synonyms

5,6-Dihydroxyindole; 3131-52-0; 1H-Indole-5,6-diol; Dopamine lutine; 3H-INDOLE-5,6-DIOL; dhi; UNII-Z3OC8499KG; 5,6-DihydroxyindoleI; C8H7NO2; CHEMBL92636; Z3OC8499KG; CHEBI:27404; AK-25753; D-3560; 3ID; 5,6-Dihydroxy-1H-indole; indole-5,6-diol; 5,6-dihydroxy indole; AC1L3FSK; EC 412-130-9; SCHEMBL48994; AC1Q7A19; CTK1C3371; DTXSID20185242; SGNZYJXNUURYCH-UHFFFAOYSA-N; MolPort-001-782-232; ZINC895800; BCP02562; ACT06797; EBD26988; ZX-AT011826; KS-00000J9K; CD-595; BDBM50028548; BBL102959; ANW-44822; STL556768; MFCD00798933; FCH834612

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

149.15

Logarithm of the Partition Coefficient (xlogp)

1.3

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C8H7NO2
IUPAC Name: 1H-indole-5,6-diol
Canonical SMILES: C1=CNC2=CC(=C(C=C21)O)O
InChI: InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H
InChIKey: SGNZYJXNUURYCH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 114683
ChEBI ID: CHEBI:27404
CAS Number: 3131-52-0
DrugBank ID: DB01811
TTD ID: D0H6MC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lactotransferrin (LTF)	TTSZDQU	TRFL_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Phosphatidylinositol 3-kinase regulatory subunit alpha (PIK3R1)	OT5BZ1J9	P85A_HUMAN	Post-Translational Modifications	[2]
RAC-alpha serine/threonine-protein kinase (AKT1)	OT8H2YY7	AKT1_HUMAN	Post-Translational Modifications	[2]
Serine/threonine-protein kinase mTOR (MTOR)	OTHH8KU7	MTOR_HUMAN	Gene/Protein Processing	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2	Danhong formula alleviates endothelial dysfunction and reduces blood pressure in hypertension by regulating MicroRNA 24 - Phosphatidylinositol 3-Kinase-Serine/Threonine Kinase- Endothelial Nitric Oxide Synthase axis. J Ethnopharmacol. 2024 Apr 6;323:117615. doi: 10.1016/j.jep.2023.117615. Epub 2023 Dec 30.