Bis(2N-[5-(3-amino-3-imminopropylcarbamoyl)-1-methyl-1H-3-pyrrolyl]-1-methyl-4-(1-methyl-1H-2-pyrrolylcarboxamido)-1H-2-pyrrolecarboxamide)3,5-pyridinedicarboxamide; dichloride

ID: ALA444022

PubChem CID: 49796442

Max Phase: Preclinical

Molecular Formula: C49H57Cl2N19O8

Molecular Weight: 1038.10

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

This compound is not in our inventory system

Names and Identifiers

Canonical SMILES: Cl.Cl.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cncc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)Nc7cc(C(=O)NCCC(=N)N)n(C)c7)n(C)c6)n(C)c5)c4)cn3C)cn2C)cc1C(=O)NCCC(=N)N

Standard InChI: InChI=1S/C49H55N19O8.2ClH/c1-63-22-30(12-34(63)44(71)55-9-7-40(50)51)59-48(75)38-16-32(24-67(38)5)61-46(73)36-14-28(20-65(36)3)57-42(69)26-11-27(19-54-18-26)43(70)58-29-15-37(66(4)21-29)47(74)62-33-17-39(68(6)25-33)49(76)60-31-13-35(64(2)23-31)45(72)56-10-8-41(52)53;;/h11-25H,7-10H2,1-6H3,(H3,50,51)(H3,52,53)(H,55,71)(H,56,72)(H,57,69)(H,58,70)(H,59,75)(H,60,76)(H,61,73)(H,62,74);2*1H

Standard InChI Key: PNPFZNORCCMJDL-UHFFFAOYSA-N

Molfile:

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M  END

Associated Targets(non-human)

Human immunodeficiency virus 1 (70413 Activities)

Explore this target

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

Murine leukemia virus (47 Activities)

Explore this target

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

Calculated Properties

Molecular Weight: 1038.10	Molecular Weight (Monoisotopic): 1037.4481	AlogP: ┄	#Rotatable Bonds: ┄
Polar Surface Area: ┄	Molecular Species: ┄	HBA: ┄	HBD: ┄
#RO5 Violations: ┄	HBA (Lipinski): ┄	HBD (Lipinski): ┄	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: ┄	CX LogP: ┄	CX LogD: ┄
Aromatic Rings: ┄	Heavy Atoms: ┄	QED Weighted: ┄	Np Likeness Score: ┄

Bis(2N-[5-(3-amino-3-imminopropylcarbamoyl)-1-methyl-1H-3-pyrrolyl]-1-methyl-4-(1-methyl-1H-2-pyrrolylcarboxamido)-1H-2-pyrrolecarboxamide)3,5-pyridinedicarboxamide; dichloride

Names and Identifiers

Associated Targets(Human)

Associated Targets(non-human)

Molecule Features

Drug Indications

Mechanisms of Action

Calculated Properties

References

Source