Details of the Drug

General Information of Drug (ID: DM6DYZ0)

Drug Name
ANOLOBINE
Synonyms
Anolobine; Anolobin; Annolobine; AC1Q6ZQY; 641-17-8; (R)-6,7,7a,8-Tetrahydro-5H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-10-ol; CHEBI:2742; CHEMBL257746; Analobine; AC1L4VB7; CTK5C0739; DTXSID60214303; BDBM50202287; 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-10-ol, 6,7,7a,8-tetrahydro-, (R)-; C09338; 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-10-ol,6,7,7a,8-tetrahydro-, (7aR)-
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) 281.3
Topological Polar Surface Area (xlogp) 2.5
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H15NO3
IUPAC Name
(12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-16-ol
Canonical SMILES
C1CN[C@@H]2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
InChI
InChI=1S/C17H15NO3/c19-11-1-2-12-10(5-11)6-13-15-9(3-4-18-13)7-14-17(16(12)15)21-8-20-14/h1-2,5,7,13,18-19H,3-4,6,8H2/t13-/m1/s1
InChIKey
LTSPCGWFQLHECP-CYBMUJFWSA-N
Cross-matching ID
PubChem CID
164710
ChEBI ID
CHEBI:2742
CAS Number
641-17-8
TTD ID
D0M1OE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Inhibitor [1]
Dopamine transporter (DAT) TTVBI8W SC6A3_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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