Details of the Drug

General Information of Drug (ID: DMW2HS8)

Drug Name
YM-116
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 247.29
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C16H13N3
IUPAC Name
2-(1H-imidazol-5-ylmethyl)-9H-carbazole
Canonical SMILES
C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)CC4=CN=CN4
InChI
InChI=1S/C16H13N3/c1-2-4-15-13(3-1)14-6-5-11(8-16(14)19-15)7-12-9-17-10-18-12/h1-6,8-10,19H,7H2,(H,17,18)
InChIKey
SHWQRVBJVFBWGP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9795793
TTD ID
D0D2LF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lyase unspecific (LYA) TTC8NQ2 NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 YM116, 2-(1H-imidazol-4-ylmethyl)-9H-carbazole, decreases adrenal androgen synthesis by inhibiting C17-20 lyase activity in NCI-H295 human adrenocortical carcinoma cells. Jpn J Pharmacol. 1999 Feb;79(2):213-20.