Details of the Drug

General Information of Drug (ID: DMD5JYQ)

• Drug Name: ZM-336372
• Synonyms: ZM 336372; 208260-29-1; ZM336372; ZM-336372; 3-(dimethylamino)-N-(3-(4-hydroxybenzamido)-4-methylphenyl)benzamide; N-[5-(3-Dimethylaminobenzamido)-2-methylphenyl]-4-hydroxybenzamide; CHEMBL186526; n-(5-(3-dimethylaminobenzamido)-2-methylphenyl)-4-hydroxybenzamide; 3-(dimethylamino)-N-{3-[(4-hydroxybenzoyl)amino]-4-methylphenyl}benzamide; 3-(dimethylamino)-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]benzamide; 3-(dimethylamino)-N-[3-(4-hydroxybenzamido)-4-methylphenyl]benzamide; Bio1_001346; compound 1 [PMID: 15454231

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 389.4
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C23H23N3O3
  IUPAC Name: 3-(dimethylamino)-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]benzamide
  Canonical SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N(C)C)NC(=O)C3=CC=C(C=C3)O
  InChI: InChI=1S/C23H23N3O3/c1-15-7-10-18(24-23(29)17-5-4-6-19(13-17)26(2)3)14-21(15)25-22(28)16-8-11-20(27)12-9-16/h4-14,27H,1-3H3,(H,24,29)(H,25,28)
  InChIKey: PYEFPDQFAZNXLI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5730
  ChEBI ID: CHEBI:95033
  CAS Number: 208260-29-1
  TTD ID: D00NWF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
B-Raf messenger RNA (BRAF mRNA)	TT0EOB8	BRAF_HUMAN	Inhibitor	[1]
LCK tyrosine protein kinase (LCK)	TT860QF	LCK_HUMAN	Inhibitor	[1]
Raf messenger RNA (Raf mRNA)	TTAN5W2	RAF1_HUMAN	Inhibitor	[1]
Stress-activated protein kinase 2a (p38 alpha)	TTQBR95	MK14_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Raf messenger RNA (Raf mRNA)	DTT	RAF1	2.12E-04	0.49	2.78
B-Raf messenger RNA (BRAF mRNA)	DTT	BRAF	1.56E-01	-0.23	-0.43

References

• [1] The selectivity of protein kinase inhibitors: a further update. Biochem J. 2007 Dec 15;408(3):297-315.
• [2] A novel series of p38 MAP kinase inhibitors for the potential treatment of rheumatoid arthritis. Bioorg Med Chem Lett. 2004 Nov 1;14(21):5383-7.