AZIDOPROCAINAMIDE METHOIODIDE

ID: ALA2074727

Max Phase: Preclinical

Molecular Formula: C14H22IN5O

Molecular Weight: 276.36

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Representations

Synonyms (1): Azidoprocainamide methoiodide
Synonyms from Alternative Forms(1):

Canonical SMILES: CC[N+](C)(CC)CCNC(=O)c1ccc(N=[N+]=[N-])cc1.[I-]

Standard InChI: InChI=1S/C14H21N5O.HI/c1-4-19(3,5-2)11-10-16-14(20)12-6-8-13(9-7-12)17-18-15;/h6-9H,4-5,10-11H2,1-3H3;1H

Standard InChI Key: IIRCOFQKZOZQDF-UHFFFAOYSA-N

Associated Targets(Human)

Solute carrier family 22 member 1 646 Activities

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

P-glycoprotein 1 14716 Activities

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Solute carrier organic anion transporter family member 1A2 104 Activities

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Solute carrier family 22 member 1 176 Activities

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

P-glycoprotein 3 492 Activities

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Solute carrier organic anion transporter family member 1A4 114 Activities

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Small molecule	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 276.36	Molecular Weight (Monoisotopic): 276.1819	AlogP: 2.84	#Rotatable Bonds: 7
Polar Surface Area: 77.86	Molecular Species: NEUTRAL	HBA: 2	HBD: 1
#RO5 Violations: 0	HBA (Lipinski): 6	HBD (Lipinski): 1	#RO5 Violations (Lipinski): 0
CX Acidic pKa:	CX Basic pKa:	CX LogP: -1.96	CX LogD: -2.08
Aromatic Rings: 1	Heavy Atoms: 20	QED Weighted: 0.35	Np Likeness Score: -0.54

References

1. Smit JW, Weert B, Schinkel AH, Meijer DK.. (1998) Heterologous expression of various P-glycoproteins in polarized epithelial cells induces directional transport of small (type 1) and bulky (type 2) cationic drugs., 286 (1): [PMID:9655875]
2. van Montfoort JE, Müller M, Groothuis GM, Meijer DK, Koepsell H, Meier PJ.. (2001) Comparison of "type I" and "type II" organic cation transport by organic cation transporters and organic anion-transporting polypeptides., 298 (1): [PMID:11408531]
3. Meijer DK, van Monffoort JE.. (2002) Interactions of cationic drugs and cardiac glycosides at the hepatic uptake level: studies in the rat in vivo, isolated perfused rat liver, isolated rat hepatocytes and oocytes expressing oatp2., 25 (1): [PMID:12214846] [10.1007/bf02976592]