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name Structure Reference Source Properties Activities Metabolism

6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid

AlkaPlorer ID: AK253456

Synonym: None

IUPAC Name: 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid

Structure

SMILES: CC1=CC2=C(C=C1C1(C3=CC=C(C(=O)O)C=N3)CC1)C(C)(C)CCC2(C)C

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InChI: InChI=1S/C24H29NO2/c1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27/h6-7,12-14H,8-11H2,1-5H3,(H,26,27)

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InChIKey: SLXTWXQUEZSSTJ-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 363.5010000000002

TPSA？: 50.19

MolLogP？: 5.517120000000006

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Chlorocebus aethiops COS-1 Activity 84.3 % 10.1021/jm400026k
Homo sapiens Bromodomain-containing protein 4 Delta TM -0.9645 C None
Homo sapiens Casein kinase I delta Delta TM 0.1085 C None
Homo sapiens Cyclin-dependent kinase 2 Delta TM -0.9979 C None
Homo sapiens Fibroblast Growth Rate 0.0 None 10.6019/CHEMBL4689842
Homo sapiens Fibroblast Growth Rate 1.0 None 10.6019/CHEMBL4689842
Homo sapiens Fibroblast growth factor receptor 3 Delta TM 0.06927 C None
Homo sapiens Glycogen synthase kinase-3 beta Delta TM -0.2457 C None
Homo sapiens HEK-293T Growth Rate 0.0 None 10.6019/CHEMBL4689842
Homo sapiens HEK-293T Growth Rate 1.0 None 10.6019/CHEMBL4689842
Homo sapiens MAP kinase ERK2 Delta TM -0.1291 C None
Homo sapiens Peregrin Delta TM -1.182 C None
Homo sapiens Peroxisome proliferator-activated receptor gamma EC50 18.6 nM 10.1016/j.bmcl.2003.08.048
Homo sapiens Peroxisome proliferator-activated receptor gamma EC50 161.0 nM 10.1016/j.bmcl.2003.08.048
Homo sapiens Retinoic acid receptor alpha Ki 1550.0 nM 10.1016/j.bmcl.2003.08.048
Homo sapiens Retinoic acid receptor alpha Ki 2745.0 nM 10.1016/j.bmcl.2003.12.089
Homo sapiens Retinoic acid receptor alpha Synergy 6.9 nM 10.1016/j.bmcl.2003.08.048
Homo sapiens Retinoic acid receptor beta Ki 1000.0 nM 10.1021/jm020401k
Homo sapiens Retinoic acid receptor beta Ki 9901.0 nM 10.1016/j.bmcl.2003.08.048
Homo sapiens Retinoic acid receptor gamma Ki 9901.0 nM 10.1016/j.bmcl.2003.08.048
Homo sapiens Retinoic acid receptor gamma Ki 10000.0 nM 10.1021/jm020340q
Homo sapiens Retinoid X receptor alpha EC50 4.0 nM 10.1021/jm00016a018
Homo sapiens Retinoid X receptor alpha EC50 11.0 nM 10.1021/jm020340q
Homo sapiens Retinoid X receptor alpha EC50 17.0 nM 10.1016/j.bmcl.2003.08.048
Homo sapiens Retinoid X receptor alpha EC50 40.0 nM 10.1021/jm400026k
Homo sapiens Retinoid X receptor alpha EC50 nan nM 10.1016/j.bmcl.2003.12.089
Homo sapiens Retinoid X receptor alpha Efficacy 4.0 % 10.1016/j.bmcl.2003.12.089
Homo sapiens Retinoid X receptor alpha Efficacy 12.0 nM 10.1016/j.bmcl.2003.08.048
Homo sapiens Retinoid X receptor alpha Efficacy 12.0 None 10.1021/jm020340q
Homo sapiens Retinoid X receptor alpha Efficacy 70.0 None 10.1021/jm020340q
Homo sapiens Retinoid X receptor alpha Efficacy 75.0 nM 10.1016/j.bmcl.2003.08.048
Homo sapiens Retinoid X receptor alpha Efficacy 84.0 % 10.1016/j.bmcl.2003.12.089
Homo sapiens Retinoid X receptor alpha IC50 8.0 nM 10.1016/j.bmcl.2003.12.089
Homo sapiens Retinoid X receptor alpha Kd 3.0 nM 10.1021/jm00016a018
Homo sapiens Retinoid X receptor alpha Ki 3.0 nM 10.1016/j.bmcl.2003.12.089
Homo sapiens Retinoid X receptor alpha Ki 12.9 nM 10.1016/j.bmcl.2003.08.048
Homo sapiens Retinoid X receptor alpha Ki 18.0 nM 10.1021/jm020340q
Homo sapiens Retinoid X receptor alpha NC nan None 10.1021/jm020340q
Homo sapiens Retinoid X receptor alpha Ratio 3.15 None 10.1021/jm400026k
Homo sapiens Retinoid X receptor beta Ki 7.5 nM 10.1016/j.bmcl.2003.12.089
Homo sapiens Retinoid X receptor beta Ki 75.0 nM 10.1016/j.bmcl.2003.08.048
Homo sapiens Retinoid X receptor gamma Ki 12.0 nM 10.1016/j.bmcl.2003.08.048
Homo sapiens Retinoid X receptor gamma Ki 12.0 nM 10.1016/j.bmcl.2003.12.089
Homo sapiens RXR alpha/PPAR gamma EC50 38.0 nM 10.1021/jm020340q
Homo sapiens RXR alpha/PPAR gamma Efficacy 166.0 None 10.1021/jm020340q
Homo sapiens Serine/threonine-protein kinase Aurora-A Delta TM 0.04981 C None
Homo sapiens Transcription intermediary factor 1-alpha Delta TM -0.5957 C None
Homo sapiens Tyrosine-protein kinase ABL Delta TM -0.2303 C None
Homo sapiens Tyrosine-protein kinase YES Potency 61349.4 nM None
Homo sapiens U2OS Growth Rate 0.0 None 10.6019/CHEMBL4689842
Homo sapiens U2OS Growth Rate 1.0 None 10.6019/CHEMBL4689842
Mus musculus Mus musculus Activity 400.0 mg dl-1 10.1021/jm020340q
Mus musculus Mus musculus Activity 400.0 mg dl-1 10.1021/jm020401k
Mus musculus Mus musculus Normalization 101.0 % 10.1021/jm020340q
Mus musculus Retinoid X receptor beta EC50 3.0 nM 10.1021/jm00016a018
Mus musculus Retinoid X receptor beta Kd 3.0 nM 10.1021/jm00016a018
Mus musculus Retinoid X receptor beta Ki 3515.0 nM 10.1016/j.bmcl.2003.12.089
Mus musculus Retinoid X receptor gamma EC50 4.0 nM 10.1021/jm00016a018
Mus musculus Retinoid X receptor gamma Kd 3.0 nM 10.1021/jm00016a018
Mus musculus Retinoid X receptor gamma Ki 10000.0 nM 10.1016/j.bmcl.2003.12.089
Rattus norvegicus Peroxisome proliferator-activated receptor alpha Ki 1000.0 nM 10.1021/jm020401k
Rattus norvegicus Peroxisome proliferator-activated receptor gamma Ki 1000.0 nM 10.1021/jm020401k
Rattus norvegicus Rattus norvegicus Activity 37.0 ng ml-1 10.1021/jm020340q
Rattus norvegicus Rattus norvegicus Activity 152.0 mg dl-1 10.1021/jm020340q
Rattus norvegicus Rattus norvegicus T4 37.0 ng ml-1 10.1021/jm020401k
Rattus norvegicus Rattus norvegicus Triglycerides 152.0 mg dl-1 10.1021/jm020401k
Rattus norvegicus Retinoic acid receptor alpha Ki 1000.0 nM 10.1021/jm020401k
Rattus norvegicus Retinoic acid receptor gamma Ki 1000.0 nM 10.1021/jm020401k
Rattus norvegicus Retinoid X receptor alpha EC50 11.0 nM 10.1021/jm020401k
Rattus norvegicus Retinoid X receptor alpha Efficacy 12.0 % 10.1021/jm020401k
Rattus norvegicus Retinoid X receptor alpha Efficacy 70.0 % 10.1021/jm020401k
Rattus norvegicus Retinoid X receptor alpha IC50 0.0 nM 10.1021/jm020401k
Rattus norvegicus Retinoid X receptor alpha Ki 18.0 nM 10.1021/jm020401k
Rattus norvegicus Retinoid X receptor alpha Synergy 7.0 fold 10.1021/jm020401k
Rattus norvegicus Retinoid X receptor beta Ki 20.0 nM 10.1021/jm020401k
Rattus norvegicus Retinoid X receptor gamma Ki 18.0 nM 10.1021/jm020401k
None NON-PROTEIN TARGET Potency 0.7 nM None
None NON-PROTEIN TARGET Potency 7.5 nM None
None NON-PROTEIN TARGET Potency 21.1 nM None
None NON-PROTEIN TARGET Potency 211.2 nM None
None NON-PROTEIN TARGET Potency 9432.9 nM None
None NON-PROTEIN TARGET Potency 23694.5 nM None
None NON-PROTEIN TARGET Potency 33173.4 nM None
None Unchecked Activation 6.3 fold 10.1021/jm020340q
None Unchecked EC50 3.0 nM 10.1021/acs.jmedchem.1c00186
None Unchecked EC50 99.0 nM 10.1021/jm020401k
None Unchecked Efficacy 62.0 % 10.1021/jm020401k
None Unchecked Efficacy 166.0 % 10.1021/jm020401k
None Unchecked Potency 6.6 nM None
None Unchecked Potency 263.5 nM None
None Unchecked Potency 14818.0 nM None
None Unchecked Potency 16626.1 nM None
None Unchecked Potency 23485.0 nM None
None Unchecked Potency 29824.5 nM None
None Unchecked Potency 33173.4 nM None
None Unchecked Potency 37221.2 nM None
None Unchecked Synergy 7.0 fold 10.1021/jm020340q
None Unchecked Synergy EC50 38.0 nM 10.1021/jm020401k

Metabolism Information