Details of the Drug

General Information of Drug (ID: DM9UMSJ)

Drug Name

AM001

Synonyms

MLS000562506; CHEMBL1407569; HMS2222P08; SMR000453693

Indication

Disease Entry	ICD 11	Status	REF
Actinic keratosis	EK90.0	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

369.4

Logarithm of the Partition Coefficient (xlogp)

0.8

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C19H19N3O5
IUPAC Name: N-[1-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Canonical SMILES: C#CCO[C@@H]1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C19H19N3O5/c1-2-10-26-14-11-17(27-15(14)12-23)22-9-8-16(21-19(22)25)20-18(24)13-6-4-3-5-7-13/h1,3-9,14-15,17,23H,10-12H2,(H,20,21,24,25)/t14-,15-,17-/m1/s1
InChIKey: VUDFTOHJBXWAGS-BFYDXBDKSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Rap guanine nucleotide exchange factor 3 (RAPGEF3)	TTOE7I0	RPGF3_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT03210740) Safety and Efficacy Study of AM001 Cream in the Treatment of Actinic Keratosis. U.S. National Institutes of Health.
2	Identification of a pharmacological inhibitor of Epac1 that protects the heart against acute and chronic models of cardiac stress. Cardiovasc Res. 2019 Oct 1;115(12):1766-1777.