Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05ZPJ
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| Former ID |
DNC001619
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| Drug Name |
4-MA
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| Synonyms |
4-Methylbenzoic acid; P-TOLUIC ACID; 99-94-5; 4-Toluic acid; Crithminic acid; p-Methylbenzoic acid; p-Toluylic acid; Benzoic acid, 4-methyl-; p-Carboxytoluene; para-Toluic acid; 4-Methyl-Benzoic Acid; Toluate; Toluenecarboxylic acid; p-Toluate; UNII-A26GBX5SSV; para toluic acid; NSC 2215; p-Toluic acid, 98%; EINECS 202-803-3; A26GBX5SSV; BRN 0507600; AI3-15627; CHEBI:36635; 2420-97-5 (cadmium salt); LPNBBFKOUUSUDB-UHFFFAOYSA-N; p-toluicacid; 4MA; Crithmic acid; rho-toluic acid; 4-Carboxytoluene; 4-MethylbenzoicAcid; 4-methylbenzic acid
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C24H40N2O2
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| Canonical SMILES |
CCN(CC)C(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)N4C)C)C
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| InChI |
1S/C24H40N2O2/c1-6-26(7-2)22(28)19-10-9-17-16-8-11-20-24(4,15-13-21(27)25(20)5)18(16)12-14-23(17,19)3/h16-20H,6-15H2,1-5H3/t16-,17-,18-,19+,20+,23-,24+/m0/s1
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| InChIKey |
GNWBLLYJQXKPIP-ZOGIJGBBSA-N
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| CAS Number |
CAS 73671-86-0
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| PubChem Compound ID | ||||
| PubChem Substance ID |
4631, 68900, 588850, 607453, 3134697, 5563032, 8155046, 10539213, 11448788, 14717718, 15297284, 16955337, 17389660, 24889293, 24900160, 26736562, 29226320, 38270302, 41703082, 41818217, 48414810, 48417043, 48422740, 48425578, 49856169, 56369825, 57324244, 57636272, 77468606, 85089981, 85165206, 85173897, 87576268, 88127456, 92719987, 103187512, 103846752, 104315046, 104668067, 117411638, 117420485, 118080509, 124890484, 125321869, 125360672, 126537956, 126589219, 126620307, 126650109, 126668714
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Hydroxysteroid dehydrogenase 3-beta (HSD3B) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Activity and inhibition of 3-beta-hydroxysteroid dehydrogenase/delta-5-4-isomerase in human skin. Skin Pharmacol. 1997;10(3):160-8. | |||
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