Details of the Drug

General Information of Drug (ID: DMRWM24)

Drug Name

PMID19632837C17f

Synonyms

benzo[d]imidazole inhibitors of PRMT4 from BMS; GTPL7031; BDBM50301077

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

408.5

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C24H32N4O2
IUPAC Name: 2-[4-[2-(2,6-dimethoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine
Canonical SMILES: CC1=CC(=CC2=C1N=C(N2)C3=C(C=CC=C3OC)OC)C4CCN(CC4)CCNC
InChI: InChI=1S/C24H32N4O2/c1-16-14-18(17-8-11-28(12-9-17)13-10-25-2)15-19-23(16)27-24(26-19)22-20(29-3)6-5-7-21(22)30-4/h5-7,14-15,17,25H,8-13H2,1-4H3,(H,26,27)
InChIKey: PFOQIHIIOLBCEQ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histone-arginine methyltransferase CARM1 (CARM1)	TTIZQFJ	CARM1_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Benzo[d]imidazole inhibitors of Coactivator Associated Arginine Methyltransferase 1 (CARM1)--Hit to Lead studies. Bioorg Med Chem Lett. 2009 Sep 1;19(17):5063-6.