N-Cbm-Tamo

ID: ALA14680

PubChem CID: 10033525

Max Phase: Preclinical

Molecular Formula: C46H54N4O8S2

Molecular Weight: 855.09

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

This compound is not in our inventory system

Names and Identifiers

Synonyms: N-Cbm-Tamo | N-CBM-TAMO|CHEMBL14680|BDBM50287045|N-[(4R,4aS,7aR,12bR)-3-(cyclobutylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-2-[[2-[[(4R,4aS,7aR,12bR)-3-(cyclobutylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]amino]-2-oxoethyl]disulfanyl]acetamide

Canonical SMILES: O=C(CSSCC(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CCC1)[C@@H]2C5)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CCC1)[C@@H]2C5

Standard InChI: InChI=1S/C46H54N4O8S2/c51-29-9-7-27-19-33-45(13-11-31(53)41-43(45,37(27)39(29)57-41)15-17-49(33)21-25-3-1-4-25)47-35(55)23-59-60-24-36(56)48-46-14-12-32(54)42-44(46)16-18-50(22-26-5-2-6-26)34(46)20-28-8-10-30(52)40(58-42)38(28)44/h7-10,25-26,33-34,41-42,51-52H,1-6,11-24H2,(H,47,55)(H,48,56)/t33-,34-,41+,42+,43+,44+,45-,46-/m1/s1

Standard InChI Key: KDZXAOMQHWOCNV-NIRISHMOSA-N

Molfile:

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M  END

Associated Targets(Human)

OPRD1 Tclin Delta opioid receptor (15096 Activities)

Discover Target: OPRD1

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

OPRK1 Tclin Kappa opioid receptor (16155 Activities)

Discover Target: OPRK1

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

Associated Targets(non-human)

OPRM1 Mu opioid receptor (123 Activities)

Discover Target: OPRM1

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

Mus musculus (284745 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: 855.09	Molecular Weight (Monoisotopic): 854.3383	AlogP: 4.47	#Rotatable Bonds: 11
Polar Surface Area: 157.74	Molecular Species: BASE	HBA: 12	HBD: 4
#RO5 Violations: 2	HBA (Lipinski): 12	HBD (Lipinski): 4	#RO5 Violations (Lipinski): 2
CX Acidic pKa: 9.48	CX Basic pKa: 8.60	CX LogP: 3.95	CX LogD: 2.27
Aromatic Rings: 2	Heavy Atoms: 60	QED Weighted: 0.19	Np Likeness Score: 0.45

References

1. Archer S, Glick SD, Maisonneuve IM, Bidlack JM, Xu JY, Teitler M, Sebastian A, El-Hamouly W, Hutchinson I. (1996) Suppression of morphine and cocaine self-administration in rats by a mixed mu antagonist-kappa agonist (N-CBM-TAMO) and a long-acting selective D1 antagonist (AS-300), 6 (10): [10.1016/0960-894X(96)00186-2]

N-Cbm-Tamo

Names and Identifiers

Alternative Forms

Associated Targets(Human)

Associated Targets(non-human)

Molecule Features

Drug Indications

Mechanisms of Action

Calculated Properties

References

Source