Details of the Drug

General Information of Drug (ID: DM60YGF)

Drug Name

3-[3-(3-benzyloxy-pyridin-2-yl)-ureido]-benzamide

Synonyms

CHEMBL201394; 3-[3-(3-benzyloxy-pyridin-2-yl)-ureido]-benzamide; BDBM50181479; 3-[(3-benzyloxy-2-pyridyl)carbamoylamino]benzamide; Benzamide, 3-[[[[3-(phenylmethoxy)-2-pyridinyl]amino]carbonyl]amino]-

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

362.4

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C20H18N4O3
IUPAC Name: 3-[(3-phenylmethoxypyridin-2-yl)carbamoylamino]benzamide
Canonical SMILES: C1=CC=C(C=C1)COC2=C(N=CC=C2)NC(=O)NC3=CC=CC(=C3)C(=O)N
InChI: InChI=1S/C20H18N4O3/c21-18(25)15-8-4-9-16(12-15)23-20(26)24-19-17(10-5-11-22-19)27-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,21,25)(H2,22,23,24,26)
InChIKey: RLBJUMUHKDTSCO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11639129
TTD ID: D07IQR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Rotamase A (PPIA)	TTL2ADK	PPIA_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Structure-based design, synthesis, and biological evaluation of novel inhibitors of human cyclophilin A. J Med Chem. 2006 Feb 9;49(3):900-10.