Details of the Drug

General Information of Drug (ID: DMHQSF8)

Drug Name
PD-146176
Synonyms
PD 146176; 4079-26-9; 6,11-dihydrothiochromeno[4,3-b]indole; 6,11-Dihydro[1]benzothiopyrano[4,3-b]indole; CHEMBL180917; pd146176; NSC168807; 6,3-b]indole; NSC 168807; AC1L6RUM; 6,11-Dihydro-5-thia-11-aza-benzo(a)fluorene; SCHEMBL1986281; ZINC6892; CTK4I3773; AOB5548; MolPort-003-959-269; BCP24885; BS0260; BDBM50208823; MFCD05664738; AKOS024457313; NSC-168807; [1]Benzothiopyrano[4, 6,11-dihydro-; NCGC00165868-01; B7208; PD 146176, > (1)Benzothiopyrano(4,3-b)indole, 6,11-dihydro-
Indication
Disease Entry ICD 11 Status REF
Arteriosclerosis BD40 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 237.32
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C15H11NS
IUPAC Name
6,11-dihydrothiochromeno[4,3-b]indole
Canonical SMILES
C1C2=C(C3=CC=CC=C3S1)NC4=CC=CC=C24
InChI
InChI=1S/C15H11NS/c1-3-7-13-10(5-1)12-9-17-14-8-4-2-6-11(14)15(12)16-13/h1-8,16H,9H2
InChIKey
ZGOOPZVQMLHPFM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
297589
ChEBI ID
CHEMBL180917
CAS Number
4079-26-9
TTD ID
D0J8RS
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Arachidonate 5-lipoxygenase (5-LOX) TT2J34L LOX5_HUMAN Modulator [2]
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Molecular Expression Atlas of This Drug

The Studied Disease Arteriosclerosis
ICD Disease Classification BD40
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Arachidonate 5-lipoxygenase (5-LOX) DTT ALOX5 4.15E-01 -0.06 -0.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800010267)
2 A specific 15-lipoxygenase inhibitor limits the progression and monocyte-macrophage enrichment of hypercholesterolemia-induced atherosclerosis in the rabbit.Atherosclerosis.1998 Feb;136(2):203-16.