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6-Chloro-1-phenyl-1,2,3,4-tetrahydro-isoquinolin-7-ol

ID: ALA65397

Chembl Id: CHEMBL65397

PubChem CID: 14198590

Max Phase: Preclinical

Molecular Formula: C15H14ClNO

Molecular Weight: 259.74

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: Oc1cc2c(cc1Cl)CCN[C@H]2c1ccccc1

Standard InChI: InChI=1S/C15H14ClNO/c16-13-8-11-6-7-17-15(12(11)9-14(13)18)10-4-2-1-3-5-10/h1-5,8-9,15,17-18H,6-7H2/t15-/m0/s1

Standard InChI Key: VXQGSKLYCJFAKI-HNNXBMFYSA-N

Parent:

ALA65397
(1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol

DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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

DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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

Drd1 Dopamine D1 receptor (1900 Activities)

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

Drd2 Dopamine D2 receptor (7893 Activities)

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

Drd1 Dopamine receptors; D1 & D2 (258 Activities)

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

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

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

Molecular Weight: 259.74	Molecular Weight (Monoisotopic): 259.0764	AlogP: 3.28	#Rotatable Bonds: 1
Polar Surface Area: 32.26	Molecular Species: NEUTRAL	HBA: 2	HBD: 2
#RO5 Violations: ┄	HBA (Lipinski): 2	HBD (Lipinski): 2	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 7.55	CX Basic pKa: 8.44	CX LogP: 3.12	CX LogD: 2.96
Aromatic Rings: 2	Heavy Atoms: 18	QED Weighted: 0.82	Np Likeness Score: 0.43

1. Charifson PS, Wyrick SD, Hoffman AJ, Simmons RM, Bowen JP, McDougald DL, Mailman RB.. (1988) Synthesis and pharmacological characterization of 1-phenyl-, 4-phenyl-, and 1-benzyl-1,2,3,4-tetrahydroisoquinolines as dopamine receptor ligands., 31 (10): [PMID:3050089] [10.1021/jm00118a012]
2. Charifson PS, Bowen JP, Wyrick SD, Hoffman AJ, Cory M, McPhail AT, Mailman RB.. (1989) Conformational analysis and molecular modeling of 1-phenyl-, 4-phenyl-, and 1-benzyl-1,2,3,4-tetrahydroisoquinolines as D1 dopamine receptor ligands., 32 (9): [PMID:2527994] [10.1021/jm00129a006]

Source(1):