Details of the Drug

General Information of Drug (ID: DMAYSFK)

Drug Name

BL-1021

Synonyms

UNII-7Q35V52Q2Z; BL-1021; BL-1021 free; 7Q35V52Q2Z; Butanamide, 4-amino-N-[3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl]-N-methyl-, hydrochloride (1:1);Butanamide, 4-amino-N-[3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl]-N-methyl-, hydrochloride (1:1); 1002331-76-1; CHEMBL490932; Butanamide, 4-amino-N-(3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)propyl)-N-methyl-, hydrochloride (1:1)

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Phase 1	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

384.9

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

6

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

2

Chemical Identifiers

Formula: C23H29ClN2O
IUPAC Name: 4-amino-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]butanamide;hydrochloride
Canonical SMILES: CN(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)C(=O)CCCN.Cl
InChI: InChI=1S/C23H28N2O.ClH/c1-25(23(26)13-6-16-24)17-7-12-22-20-10-4-2-8-18(20)14-15-19-9-3-5-11-21(19)22;/h2-5,8-12H,6-7,13-17,24H2,1H3;1H
InChIKey: DEKZAWRGNGHZKY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 24898306
CAS Number: 1002331-76-1
TTD ID: D0FM7Z

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Norepinephrine transporter (NET)	TTAWNKZ	SC6A2_HUMAN	Modulator	[2]
Serotonin transporter (SERT)	TT3ROYC	SC6A4_HUMAN	Modulator	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Pain

ICD Disease Classification

MG30-MG3Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Serotonin transporter (SERT)	DTT	SLC6A4	8.76E-01	7.18E-05	6.19E-04

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT01121380) A Study Intended to Evaluate Safety, Tolerability and Pharmacokinetics (PK) Parameters of BL-1021. U.S. National Institutes of Health.
2	Company report (BioLineRx)