UCSF

ZINC06036847

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2006 10 Yes

Popular Name: Amphetamine Sulfate Amphetamine Sulfate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 156-34-3 , 300-62-9 , 41820-21-7 , 51-62-7 , 60-13-9 , 60-15-1

Other Names:

(+-)-2-Amino-1-phenylpropane sulfate; (+-)-Amphetamine sulfate; (+-)-Phenisopropylamine sulfate; (+-)-alpha-Methylphenethylamine sulfate (2:1); Amphamine sulfate; Amphetamine sulfate; Amphetamine sulphate; Amphetamini sulfas; Amphetaminium sulfuricum; DL-

(+/-)-Benzedrine

(+/-)-beta-Phenylisopropylamine

(+/-)-Desoxynorephedrine

(-)-Amphetamine sulfate; Benzeneethanamine, alpha-methyl-, (R)-, sulfate (2:1); L-Amphetamine sulfate; L-Benzedrine sulfate; LS-103687; Levedrine; NSC 27105; Phenethylamine, alpha-methyl-, sulfate (2:1), (-)-; l-1-Phenyl-2-aminopropane sulfate

(R)-1-phenylpropan-2-amine

(R)-1-Phenylpropan-2-amine sulfate(2:1)

(R)-a-Methyl-benzeneethanamine;(R)-a-methylbenzeneethanamine;(R)-a-methylphenethylamine;(R)-alpha-Methyl-benzeneethanamine;(R)-alpha-methylbenzeneethanamine;(R)-alpha-methylphenethylamine;(R)-amphetamine;(R)-Phenaminum;(R)-phenylisopropylamine;L-(R)-Amphe

(r)-alpha-methylbenzeneethanamine

(R)-Amphetamine

(R)-amphetamine; CPD-7659; L-amphetamine; levamphetamine

fetamin(e)

1-(Cyclohexa-1,5-dien-1-yl)propan-2-amine sulfate

1-Methyl-2-phenylethylamine

1-Phenyl-2-aminopropane

1-Phenylpropan-2-amin; 1-phenyl-2-aminopropane; Amfetamine; Amphetamin; Amphetamine; alpha-methylbenzeneethaneamine; alpha-methylphenylethylamine; amfetaminum; amphetamine; beta-Phenylisopropylamin; beta-aminopropylbenzene; beta-phenylisopropylamine; deso

1-phenylpropan-2-amine; sulfuric acid

262

3-Methoxy-a-methylbenzeneethanamine

3-Methoxyamphetamine

3-Methoxyphenylisopropylamine

300-62-9; Amfetamin (TN); Amfetamine (INN); Amphetamine; D07445

300-62-9; Amphetamine; C07514

60-13-9; Amphetamine sulfate (USP); Benzedrine (TN); D02074

Actedron

Adipan

Allodene

ALPHA-METHYL-BENZENEETHANAMIDE (SEE ALSO DL-AMPHETAMINE SULFATE); C9H13N; LS-1428; Phenethylamine, alpha-methyl-

alpha-Methylbenzeneethaneamine

Amfetamine

Amfetamine (INN

Amphetamine

Amphetamine Resin Complex (FDA); Amphetamine Aspartate (FDA); Amfetamine (BAN

Anorexide

Anorexine

BAN); Amphetamine resin complex (FDA); Amphetamine Aspartate (FDA); Amphetamine sulfate (FDA

BAN); Amphetamine resin complex (FDA); Amphetamine Aspartate (FDA); Amphetamine Sulfate (USP

Benzebar

Benzedrine

Benzolone

beta-Aminopropylbenzene

beta-phenyl-isopropylamine

CHEBI:42720; CHEBI:35339

Desoxyn

Dexampex

Dexedrine

Dextrostat

dl-1-Phenyl-2-aminopropane

DL-alpha-Methylphenethylamine

Dl-amphetamine

dl-Benzedrine

Elastonon

FDA); Amphetamine Adipate (FDA)

Fenamin

Fenylo-izopropylaminyl

Ferndex

Finam

INN); Amphetamine Sulfate (FDA

INN); Levamfetamine Succinate (USAN)

Isoamycin

Isoamyne

Isomyn

L-Amphetamine

Levamfetamine (BAN

LS-190282

m-Methoxy-a-methylphenethylamine

m-Methoxyamphetamine

Mecodrin

Methampex

Methamphetamine HCL

MFCD00056185

Norephedrane

Not available

Novydrine

Oktedrin

Ortedrine

Paredrine

Percomon

Phenamine

Phenedrine

Phenylisopropylamine

Profamina

Propisamine

Psychedrine

Raphetamine

Rhinalator

Simpatedrin

Simpatina

Sympamin

Sympamine

Sympatedrine

USP)

USP); Amphetamine Adipate (FDA)

Weckamine

[1-(3-Methoxyphenyl)-2-propyl]amine

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 4 -39.2 3 1 1 28 136.218 2 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 7.227 Bitter DB
ALOGPS_SOLUBILITY 1.74e+00 g/l DrugBank-approved
UniProt Database Links CART_BOVIN; CART_HUMAN; CART_MOUSE; CART_PIG; CART_RAT; CD47_RAT; NACC1_MOUSE ChEBI
PUBCHEM_PATENT_ID EP0255728A2; EP0255728B1 IBM Patent Data
Patent Database Links EP1083178; EP1178047; EP1178048; EP1340980; EP1340981; EP1364957; EP1364958; EP1400529; EP1568770; EP1577317; EP1602374; EP1632245; EP1634498; EP1661558; EP1690531; EP1743631; EP1815846; EP1825851; EP1829527; EP1829528; EP1829862; EP1829866; EP1829867; EP ChEBI
Patent Database Links US2006020022; US2007197663; WO2006011047 ChEBI
Patent Database Links US2007264323; WO2007133203 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT1A-1-E Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 7660 0.72 Binding ≤ 10μM
5HT1B-1-E Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 7660 0.72 Binding ≤ 10μM
5HT1D-1-E Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 7660 0.72 Binding ≤ 10μM
5HT1F-1-E Serotonin 1f (5-HT1f) Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 7660 0.72 Binding ≤ 10μM
SC6A3-2-E Dopamine Transporter (cluster #2 Of 3), Eukaryotic Eukaryotes 4900 0.74 Binding ≤ 10μM
TAAR1-2-E Trace Amine-associated Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 920 0.85 Functional ≤ 10μM
CP2A5-1-E Cytochrome P450 2A5 (cluster #1 Of 2), Eukaryotic Eukaryotes 2850 0.78 ADME/T ≤ 10μM
CP2A6-1-E Cytochrome P450 2A6 (cluster #1 Of 5), Eukaryotic Eukaryotes 3500 0.76 ADME/T ≤ 10μM
Z50597-12-O Rattus Norvegicus (cluster #12 Of 12), Other Other 490 0.88 Functional ≤ 10μM
Z50597-12-O Rattus Norvegicus (cluster #12 Of 12), Other Other 800 0.85 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC6A3_RAT P23977 Dopamine Transporter, Rat 4900 0.74 Binding ≤ 10μM
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 7660 0.72 Binding ≤ 10μM
5HT1B_RAT P28564 Serotonin 1b (5-HT1b) Receptor, Rat 7660 0.72 Binding ≤ 10μM
5HT1D_RAT P28565 Serotonin 1d (5-HT1d) Receptor, Rat 7660 0.72 Binding ≤ 10μM
5HT1F_RAT P30940 Serotonin 1f (5-HT1f) Receptor, Rat 7660 0.72 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 200 0.94 Functional ≤ 10μM
TAAR1_HUMAN Q96RJ0 Trace Amine-associated Receptor 1, Human 920 0.85 Functional ≤ 10μM
CP2A5_MOUSE P20852 Cytochrome P450 2A5, Mouse 2850 0.78 ADME/T ≤ 10μM
CP2A6_HUMAN P11509 Cytochrome P450 2A6, Human 3500 0.76 ADME/T ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Amine ligand-binding receptors
CYP2E1 reactions
Dopamine clearance from the synaptic cleft
G alpha (i) signalling events
G alpha (s) signalling events
Na+/Cl- dependent neurotransmitter transporters
Serotonin receptors
Xenobiotics

Analogs ( Draw Identity 99% 90% 80% 70% )