Details of the Drug

General Information of Drug (ID: DMZD6IJ)

Drug Name
BDBM108945
Synonyms SCHEMBL12780004; BDBM108945
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 405.5
Topological Polar Surface Area (xlogp) 4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C26H23N5
IUPAC Name
4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
Canonical SMILES
C1CNCCC1C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3
InChI
InChI=1S/C26H23N5/c1-2-4-25-23(3-1)22(11-14-28-25)24-16-30-31-17-21(15-29-26(24)31)19-7-5-18(6-8-19)20-9-12-27-13-10-20/h1-8,11,14-17,20,27H,9-10,12-13H2
InChIKey
WTMROIBZVGJXRP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
58170113
TTD ID
D05YMG

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Activin receptor type IB (ACVR1B) TTPKHTZ ACV1B_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 BMP inhibitors and methods of use thereof. US9682983.
2 Compounds and methods of use. US10030004.
3 Synthesis and structure-activity relationships of a novel and selective bone morphogenetic protein receptor (BMP) inhibitor derived from the pyrazolo[1.5-a]pyrimidine scaffold of dorsomorphin: the discovery of ML347 as an ALK2 versus ALK3 selective MLPCN probe. Bioorg Med Chem Lett. 2013 Jun 1;23(11):3248-52.