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) 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) 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)