Details of the Drug

General Information of Drug (ID: DMOUHR4)

Drug Name
CA-170
Synonyms
3-Aminopyrrolidine dihydrochloride; 103831-11-4; pyrrolidin-3-amine dihydrochloride; 3-Pyrrolidinamine, dihydrochloride; 3-Aminopyrrolidine 2HCl; 3-Aminopyrrolidine diHCl; SCHEMBL555933; ACMC-2099s1; ACMC-2099s3; ACMC-20989g; 3-pyrrolidinamine dihydrochloride; CTK0H7226; DTXSID00583661; MolPort-002-343-989; NJPNCMOUEXEGBL-UHFFFAOYSA-N; 3-Amino-pyrrolidine dihydrochloride; KS-00000JI6; ACT01710; ANW-14978; SBB003982; ( -3-Aminopyrrolidine dihydrochloride; AKOS015844825; VP60158; AM85320; VP60228; TRA0055207; TRA0000843; TRA0097
Indication
Disease Entry ICD 11 Status REF
Lymphoma 2A80-2A86 Phase 1 [1]
Solid tumour/cancer 2A00-2F9Z Phase 1 [1]
Drug Type
Small molecule immunotherapy
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 159.05
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 0
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 2
Chemical Identifiers
Formula
C4H12Cl2N2
IUPAC Name
pyrrolidin-3-amine;dihydrochloride
Canonical SMILES
C1CNCC1N.Cl.Cl
InChI
InChI=1S/C4H10N2.2ClH/c5-4-1-2-6-3-4;;/h4,6H,1-3,5H2;2*1H
InChIKey
NJPNCMOUEXEGBL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16212596
CAS Number
103831-11-4
DrugBank ID
DB15772
TTD ID
D09PPU
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Programmed cell death 1 ligand 1 (PD-L1) TT8ZLTI PD1L1_HUMAN Inhibitor [1]
V-set immunoregulatory receptor (VSIR) TT51SK8 VISTA_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Lymphoma
ICD Disease Classification 2A80-2A86
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Programmed cell death 1 ligand 1 (PD-L1) DTT CD274 4.38E-07 0.37 2.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Development of Inhibitors of the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Signaling Pathway.J Med Chem. 2019 Feb 28;62(4):1715-1730.