| Name |
Cocaine (USP);Cocaine (TN) |
| Formula |
C17H21NO4 |
| Exact mass |
303.1471 |
| Mol weight |
303.35 |
| Structure |
 |
| Simcomp |
|
| Source |
Erythroxylum coca [TAX:289672] |
| Class |
Neuropsychiatric agent DG02030 Anesthetics DG01675 Local anesthetic DG01674 Esterified local anesthetic |
| Remark |
Same as: C01416ATC code: N01BC01 R02AD03 S01HA01 S02DA02Chemical structure group: DG00808Product (DG00808): D02182<US> |
| Efficacy |
Anesthetic (topical), Narcotic |
| Comment |
Coca alkaloids |
| Target |
SLC6A3 (DAT1) [HSA:6531] [KO:K05036]SLC6A4 (HTT) [HSA:6532] [KO:K05037]SLC6A2 (NAT1) [HSA:6530] [KO:K05035]KCNH2 [HSA:3757] [KO:K04905]SCN1A [HSA:6323] [KO:K04833]SCN2A [HSA:6326] [KO:K04834]SCN3A [HSA:6328] [KO:K04836]SCN4A [HSA:6329] [KO:K04837]SCN5A [HSA:6331] [KO:K04838]SCN8A [HSA:6334] [KO:K04840]SCN9A [HSA:6335] [KO:K04841]SCN10A [HSA:6336] [KO:K04842]SCN11A [HSA:11280] [KO:K04843] |
| Pathway |
hsa04721 Synaptic vesicle cyclehsa04726 Serotonergic synapsehsa04728 Dopaminergic synapsehsa05030 Cocaine addiction |
| Interaction |
|
| Structure map |
map07015 Local analgesicsmap07110 Benzoic acid familymap07231 Sodium channel blocking drugsmap07234 Neurotransmitter transporter inhibitors |
| Other map |
map05030 Cocaine addiction |
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303] N NERVOUS SYSTEM N01 ANESTHETICS N01B ANESTHETICS, LOCAL N01BC Esters of benzoic acid N01BC01 Cocaine D00110 Cocaine (USP) R RESPIRATORY SYSTEM R02 THROAT PREPARATIONS R02A THROAT PREPARATIONS R02AD Anesthetics, local R02AD03 Cocaine D00110 Cocaine (USP) S SENSORY ORGANS S01 OPHTHALMOLOGICALS S01H LOCAL ANESTHETICS S01HA Local anesthetics S01HA01 Cocaine D00110 Cocaine (USP) S02 OTOLOGICALS S02D OTHER OTOLOGICALS S02DA Analgesics and anesthetics S02DA02 Cocaine D00110 Cocaine (USP)Drug groups [BR:br08330] Neuropsychiatric agent DG02030 Anesthetics DG01675 Local anesthetic DG01674 Esterified local anesthetic DG00808 Cocaine D00110 CocaineTarget-based classification of drugs [BR:br08310] Ion channels Voltage-gated ion channels Sodium channels SCN1A D00110 Cocaine (USP) SCN2A D00110 Cocaine (USP) SCN3A D00110 Cocaine (USP) SCN4A D00110 Cocaine (USP) SCN5A D00110 Cocaine (USP) SCN8A D00110 Cocaine (USP) SCN9A D00110 Cocaine (USP) SCN10A D00110 Cocaine (USP) SCN11A D00110 Cocaine (USP) Potassium channels KCNH2 D00110 Cocaine (USP) Transporters Solute carrier family SLC6 SLC6A2 (NAT1) D00110 Cocaine (USP) SLC6A3 (DAT1) D00110 Cocaine (USP) SLC6A4 (HTT) D00110 Cocaine (USP)Narcotics and psychotropics in Japan [br08308.html] Narcotics by Control Act Article 2 Table 1 (76 substances) D00110Drug groups [BR:br08330] Neuropsychiatric agent DG02030 Anesthetics DG01675 Local anesthetic DG01674 Esterified local anesthetic DG00808 Cocaine |
| Other DBs |
CAS: 50-36-2PubChem: 7847178ChEBI: 27958PDB-CCD: COC[PDBj] LigandBox: D00110NIKKAJI: J43.264D |
| LinkDB |
|
| KCF data |
ATOM 22 1 C1x C 20.1600 -15.2600 2 C1x C 20.5100 -14.0700 3 C1y C 21.3500 -14.9800 4 C1y C 21.7000 -13.7900 5 N1y N 20.4400 -12.4600 6 C1x C 23.2400 -14.9800 7 C1y C 22.9600 -13.7900 8 C1y C 24.2900 -15.5400 9 O7a O 25.3400 -16.3800 10 C7a C 26.5300 -16.3800 11 C8y C 27.1600 -15.3300 12 O6a O 27.1600 -17.5700 13 C1a C 19.6700 -11.2700 14 C8x C 28.5600 -15.3300 15 C8x C 29.2600 -14.0700 16 C8x C 28.5600 -12.8800 17 C8x C 27.1600 -12.8800 18 C8x C 26.4600 -14.1400 19 C7a C 23.5900 -12.5300 20 O7a O 24.9900 -12.5300 21 O6a O 22.8200 -11.3400 22 C1a C 25.6900 -11.2700BOND 24 1 1 2 1 2 1 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 6 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 10 12 2 12 4 5 1 13 7 8 1 14 5 13 1 15 11 14 2 16 14 15 1 17 15 16 2 18 16 17 1 19 17 18 2 20 11 18 1 21 7 19 1 #Up 22 19 20 1 23 19 21 2 24 20 22 1 |
