Details of the Drug

General Information of Drug (ID: DMVUMWZ)

Drug Name
PS-1145
Synonyms
PS-1145; 431898-65-6; PS 1145; CHEMBL79004; N-(6-Chloro-9H-beta-carbolin-8-yl)-nicotinamide; MLS006010310; ZINC9090; SCHEMBL1420453; CTK1D2755; KS-00000TTM; CHEBI:94801; DTXSID00433238; EX-A786; MolPort-042-665-715; JZRMBDHPALEPDM-UHFFFAOYSA-N; HMS3229F21; BCP24095; s7691; BDBM50130248; AKOS030526812; CS-5415; ACN-053038; NCGC00165873-02; NCGC00165873-01; SMR004701376; HY-18008; AK547800; FT-0700478; J-690297; BRD-K93023739-001-02-9; N-{6-chloro-9H-pyrido[3,4-b]indol-8-yl}pyridine-3-carboxamide
Indication
Disease Entry ICD 11 Status REF
Multiple myeloma 2A83 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 322.7
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H11ClN4O
IUPAC Name
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-3-carboxamide
Canonical SMILES
C1=CC(=CN=C1)C(=O)NC2=CC(=CC3=C2NC4=C3C=CN=C4)Cl
InChI
InChI=1S/C17H11ClN4O/c18-11-6-13-12-3-5-20-9-15(12)21-16(13)14(7-11)22-17(23)10-2-1-4-19-8-10/h1-9,21H,(H,22,23)
InChIKey
JZRMBDHPALEPDM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9949093
ChEBI ID
CHEMBL79004
CAS Number
431898-65-6
TTD ID
D07MQC
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Inhibitor of nuclear factor kappa-B kinase (IKK) TTRPDBG NOUNIPROTAC Inhibitor [1]
Nuclear factor NF-kappa-B (NFKB) TTSXVID NFKB1_HUMAN ; NFKB2_HUMAN ; TF65_HUMAN ; RELB_HUMAN ; REL_HUMAN Activator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Emerging therapies for multiple myeloma. Expert Opin Emerg Drugs. 2009 Mar;14(1):99-127.