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
CHEBI:94801
CAS Number
431898-65-6
TTD ID
D07MQC

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.