Details of the Drug

General Information of Drug (ID: DMXYDMP)

Drug Name

LM10

Synonyms

1316695-35-8; (E)-3-(2-(1H-TETRAZOL-5-YL)VINYL)-6-FLUORO-1H-INDOLE; CHEMBL1812545; LM-10; 6-fluoro-3-[(E)-2-(1H-1,2,3,4-tetrazol-5-yl)ethenyl]-1H-indole; 6-Fluoro-3-[(1E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole; 1H-Indole, 6-fluoro-3-[(1E)-2-(2H-tetrazol-5-yl)ethenyl]-; LM 10; GTPL9016; SCHEMBL16820602; SCHEMBL16820603; BDBM311862; CS-D0342; BDBM50350248; MFCD26097257; s8368; US10155972, Compound LM10; ZINC72108665; AKOS024464444; CCG-266788; AS-30527; Q27081058

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Preclinical	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

229.21

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C11H8FN5
IUPAC Name: 6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole
Canonical SMILES: C1=CC2=C(C=C1F)NC=C2/C=C/C3=NNN=N3
InChI: InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)/b4-1+
InChIKey: JDBSZVDIUIRSDG-DAFODLJHSA-N

Cross-matching ID

PubChem CID: 135743630
TTD ID: DZ8UP4

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tryptophan 2,3-dioxygenase (TDO)	TTXNCBV	T23O_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Tryptophan metabolism as a common therapeutic target in cancer, neurodegeneration and beyond. Nat Rev Drug Discov. 2019 May;18(5):379-401.
2	The autoimmune response elicited by mouse hepatitis virus (MHV-A59) infection is modulated by liver tryptophan-2,3-dioxygenase (TDO). Immunol Lett. 2020 Jan;217:25-30.