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]
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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
CAS Number: 4079-26-9
TTD ID: D0J8RS

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 Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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)

MEA Detail

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.