2-(2-Hydroxy-biphenyl-3-yl)-1H-benzoimidazole-5-carboxamidine

Names and Identifiers

Canonical SMILES: N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)nc2c1

Standard InChI: InChI=1S/C20H16N4O/c21-19(22)13-9-10-16-17(11-13)24-20(23-16)15-8-4-7-14(18(15)25)12-5-2-1-3-6-12/h1-11,25H,(H3,21,22)(H,23,24)

Standard InChI Key: LMGQGPVCSYOMNS-UHFFFAOYSA-N

Parent:

ALA327715
2-(2-Hydroxy-biphenyl)-1h-benzoimidazole-5-carboxamidine

PLAU Tchem Urokinase-type plasminogen activator (2016 Activities)

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

PLAT Tclin Tissue-type plasminogen activator (1057 Activities)

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

F10 Tclin Coagulation factor X (9693 Activities)

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

F2 Tclin Thrombin (11687 Activities)

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

PLG Tclin Plasminogen (2339 Activities)

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

PRSS1 Tclin Trypsin I (2306 Activities)

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

F9 Tchem Coagulation factor IX (922 Activities)

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

F7 Tchem Coagulation factor VII (948 Activities)

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

F9 Tchem Coagulation factor IX and X (91 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

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Molecular Weight: 328.38	Molecular Weight (Monoisotopic): 328.1324	AlogP: 3.89	#Rotatable Bonds: 3
Polar Surface Area: 98.78	Molecular Species: BASE	HBA: 3	HBD: 4
#RO5 Violations: ┄	HBA (Lipinski): 5	HBD (Lipinski): 5	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 8.85	CX Basic pKa: 10.61	CX LogP: 3.16	CX LogD: 1.89
Aromatic Rings: 4	Heavy Atoms: 25	QED Weighted: 0.34	Np Likeness Score: -0.44

1. Verner E, Katz BA, Spencer JR, Allen D, Hataye J, Hruzewicz W, Hui HC, Kolesnikov A, Li Y, Luong C, Martelli A, Radika K, Rai R, She M, Shrader W, Sprengeler PA, Trapp S, Wang J, Young WB, Mackman RL.. (2001) Development of serine protease inhibitors displaying a multicentered short (<2.3 A) hydrogen bond binding mode: inhibitors of urokinase-type plasminogen activator and factor Xa., 44 (17): [PMID:11495587] [10.1021/jm0100638]
2. Vijaykumar D, Sprengeler PA, Shaghafi M, Spencer JR, Katz BA, Yu C, Rai R, Young WB, Schultz B, Janc J.. (2006) Discovery of novel hydroxy pyrazole based factor IXa inhibitor., 16 (10): [PMID:16487703] [10.1016/j.bmcl.2006.01.123]
3. Mark Wenlock and Nicholas Tomkinson. Experimental in vitro DMPK and physicochemical data on a set of publicly disclosed compounds, [10.6019/CHEMBL3301361]

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