Details of the Drug

General Information of Drug (ID: DMB70WC)

Drug Name

Genz-10850

Synonyms

Genz-10850; 5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-YL]CARBONYL}-1H-INDOLE; [4-(9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone; [4-(9H-Fluoren-9-yl)-piperazin-1-yl]-(1H-indol-5-yl)-methanone; GEQ; piperazine, p3; AC1L9L7I; SCHEMBL7664894; CHEMBL216579; BDBM25796; YYMZSGIXLQPFAC-UHFFFAOYSA-N; DB04289

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

393.5

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C26H23N3O
IUPAC Name: [4-(9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone
Canonical SMILES: C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)C(=O)C5=CC6=C(C=C5)NC=C6
InChI: InChI=1S/C26H23N3O/c30-26(19-9-10-24-18(17-19)11-12-27-24)29-15-13-28(14-16-29)25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-12,17,25,27H,13-16H2
InChIKey: YYMZSGIXLQPFAC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 447767
DrugBank ID: DB04289
TTD ID: D0E9CT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Fatty acid synthetase I (Bact inhA)	TTVTX4N	INHA_MYCTU	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.