kutzneride 8

ID: ALA449627

PubChem CID: 44566399

Max Phase: Preclinical

Molecular Formula: C37H48Cl3N7O12

Molecular Weight: 889.19

Molecule Type: Small molecule

This compound is available for customization.

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Synonyms: Kutzneride 8 | CHEMBL449627

Canonical SMILES: COC[C@@H]1NC(=O)[C@@H]2C[C@@H](Cl)CNN2C(=O)[C@H](C(C)(C)C)OC(=O)[C@@H](C2(C)CC2)NC(=O)[C@@H]2C[C@@]3(O)c4ccc(Cl)c(Cl)c4N[C@H]3N2C(=O)[C@@H]([C@H](O)CC(=O)O)NC1=O

Standard InChI: InChI=1S/C37H48Cl3N7O12/c1-35(2,3)27-32(55)47-19(10-15(38)13-41-47)29(52)42-18(14-58-5)28(51)43-25(21(48)11-22(49)50)31(54)46-20(30(53)45-26(33(56)59-27)36(4)8-9-36)12-37(57)16-6-7-17(39)23(40)24(16)44-34(37)46/h6-7,15,18-21,25-27,34,41,44,48,57H,8-14H2,1-5H3,(H,42,52)(H,43,51)(H,45,53)(H,49,50)/t15-,18+,19+,20+,21-,25-,26+,27-,34+,37-/m1/s1

Standard InChI Key: GOUIVYIRLLTNCF-HDJMJMBUSA-N

Molfile:

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M  END

Associated Targets(non-human)

Pectobacterium carotovorum (295 Activities)

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

Staphylococcus aureus (210822 Activities)

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

Fusarium culmorum (260 Activities)

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

Drechslera (102 Activities)

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

Natural Product: Yes	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: Yes

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: 889.19	Molecular Weight (Monoisotopic): 887.2427	AlogP: -0.05	#Rotatable Bonds: 6
Polar Surface Area: 265.27	Molecular Species: ACID	HBA: 13	HBD: 8
#RO5 Violations: 3	HBA (Lipinski): 19	HBD (Lipinski): 8	#RO5 Violations (Lipinski): 3
CX Acidic pKa: 3.62	CX Basic pKa: 3.12	CX LogP: -0.87	CX LogD: -3.64
Aromatic Rings: 1	Heavy Atoms: 59	QED Weighted: 0.14	Np Likeness Score: 1.15

kutzneride 8

Names and Identifiers

Alternative Forms

Associated Targets(non-human)

Molecule Features

Drug Indications

Mechanisms of Action

Biocomponents

Calculated Properties

References

Source