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Bioactive Small Molecules
Metesind , CAS No.138384-68-6

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Metesind , CAS No.138384-68-6

CAS#: 138384-68-6
Formula: C₂₃H₂₄N₄O₃S
Molecular Weight: 436.5
PubChem CID: 3047716

Item Number

M668798

Grouped product items
SKU	Size	Availability	Price	Qty
M668798-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
M668798-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	METESIND \| Metesind [INN] \| UNII-2027T69J24 \| 2027T69J24 \| AG-331 \| N6-methyl-N6-(4-(morpholinosulfonyl)benzyl)benzo[cd]indole-2,6-diamine \| METESIND [WHO-DD] \| DTXSID90930100 \| BDBM50005210 \| AKOS040748907 \| Q27253390 \| 4-((4-(((2-AMINOBENZ(CD)INDOL-6-YL

Product Properties

ALogP	2.2

Associated Targets(Human)

TYMS Tclin Thymidylate synthase (2 Activities)

Discover Target: TYMS

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TYMS Tclin Thymidylate synthase (1651 Activities)

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

CCRF-CEM (65223 Activities)

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

Associated Targets(non-human)

pol Human immunodeficiency virus type 1 protease (9113 Activities)

Discover Target: pol

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

L1210 (27553 Activities)

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

Mechanisms of Action

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

Names and Identifiers

IUPAC Name	6-N-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine
INCHI	InChI=1S/C23H24N4O3S/c1-26(21-10-9-20-22-18(21)3-2-4-19(22)23(24)25-20)15-16-5-7-17(8-6-16)31(28,29)27-11-13-30-14-12-27/h2-10H,11-15H2,1H3,(H2,24,25)
InChi Key	CVEGTZWWWRJCFK-UHFFFAOYSA-N
Canonical SMILES	CN(CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C3=C4C=CC=C5C4=C(C=C3)N=C5N
Isomeric SMILES	CN(CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C3=C4C=CC=C5C4=C(C=C3)N=C5N
PubChem CID	3047716
Molecular Weight	436.5

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