N-((2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-((R)-3-amino-1-hydroxy-3-oxopropyl)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6-((R)-1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzamide

ID: ALA2387201

PubChem CID: 71624839

Max Phase: Preclinical

Molecular Formula: C55H69N9O19

Molecular Weight: 1160.20

Molecule Type: Unknown

Associated Items:

Bioactivity Summary Target Summary Assay Summary

This compound is not in our inventory system

Names and Identifiers

Canonical SMILES: CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)CCN5C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)no2)cc1

Standard InChI: InChI=1S/C55H69N9O19/c1-3-4-5-20-82-33-16-12-28(13-17-33)40-23-34(62-83-40)27-6-8-30(9-7-27)48(74)57-35-22-39(70)51(77)61-53(79)45-37(68)18-19-63(45)55(81)43(38(69)24-41(56)71)59-52(78)44(47(73)46(72)29-10-14-31(66)15-11-29)60-50(76)36-21-32(67)25-64(36)54(80)42(26(2)65)58-49(35)75/h6-17,23,26,32,35-39,42-47,51,65-70,72-73,77H,3-5,18-22,24-25H2,1-2H3,(H2,56,71)(H,57,74)(H,58,75)(H,59,78)(H,60,76)(H,61,79)/t26-,32-,35+,36+,37+,38-,39-,42+,43+,44+,45+,46+,47+,51-/m1/s1

Standard InChI Key: BPZOKZNEIMNZDY-JLLNUNJDSA-N

Molfile:

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M  END

Associated Targets(non-human)

Candida albicans (78123 Activities)

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Escherichia coli (133304 Activities)

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Staphylococcus aureus (210822 Activities)

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Aspergillus fumigatus (16427 Activities)

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Cryptococcus neoformans (21258 Activities)

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

Candida parapsilosis (8521 Activities)

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CaFKS1 Beta-1,3-glucan synthase (151 Activities)

Discover Target: CaFKS1

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

Meyerozyma guilliermondii (575 Activities)

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

Pichia kudriavzevii (7448 Activities)

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

Nakaseomyces glabratus (9108 Activities)

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

Clavispora lusitaniae (671 Activities)

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Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Unknown	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: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1160.20	Molecular Weight (Monoisotopic): 1159.4710	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: ┄

Names and Identifiers

Alternative Forms

Associated Targets(non-human)

Molecule Features

Drug Indications

Mechanisms of Action

Calculated Properties

References

Source