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]
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) 0
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 2
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
CHEMBL27404
CAS Number
3131-52-0
UNII
Z3OC8499KG
DrugBank ID
DB01811
TTD ID
D0H6MC
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]

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]
Molecular Interaction Atlas (MIA) 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.