UCSF

ZINC06021043

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2006 11 Yes

Popular Name: Methamphetamine Methamphetamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 51-57-0 , 537-46-2 , 7632-10-2

Other Names:

(+ )-methylamphetamine

(+ )-methylamphetamine;(+)-(S)-deoxyephedrine;(+)-(S)-N-alpha-dimethylphenethylamine;(+)-2-(N-Methylamino)-1-phenylpropane;(+)-methamphetamine;(+)-methylamphetamine;(+)-N,alpha-dimethyl-beta-phenylethylamine;(+)-N,alpha-dimethylphenethylamine;(+)-N-methyl

(+)-(s)-deoxyephedrine

(+)-(S)-N,alpha-Dimethylphenethylamine hydrochloride; (+)-2-Methylamino-2-phenylpropane hydrochloride; (+)-L-Methamphetamine hydrochloride; (+)-Methamphetamine chloride; (+)-Methamphetamine hydrochloride; (+)-Methylamphetamine hydrochloride; (+)-N,alpha-D

(+)-(s)-n-alpha-dimethylphenethylamine

(+)-(S)-N-alpha-dimethylphenethylamine; (S)-N,alpha-dimethylbenzeneethanamine; (alphaS)-N,alpha-dimethylbenzeneethanamine; Methamphetamine; d-1-phenyl-2-methylaminopropane; d-N-methylamphetamine; d-deoxyephedrine; d-desoxyephedrine; d-phenylisopropylmethy

(+)-2-(N-Methylamino)-1-phenylpropane

(+)-methamphetamine

(+)-methylamphetamine

(+)-n,alpha-dimethyl-beta-phenylethylamine

(+)-n,alpha-dimethylphenethylamine

(+)-N,alpha-dimethylphenethylamine hydrochloride; (+)-methamphetamine hydrochloride; (S)-(+)-methamphetamine hydrochloride; d-methaphetamine hydrochloride; methamphetamine hydrochloride; methamphetamine hydrogen chloride; methamphetaminium chloride

(+)-n-methylamphetamine

(+-)-Madrine; (+-)Methamphetamine hydrochloride; (1)-N,alpha-Dimethylphenethylamine hydrochloride; (d,l)-Methamphetamine hydrochloride; Benzeneethanamine, N,alpha-dimethyl-, hydrochloride, (+-)-; D,L-METHAMPHETAMINE HCL; EINECS 224-306-0; LS-115; Methampe

(2S)-N-methyl-1-phenylpropan-2-amine

(2S)-N-methyl-1-phenylpropan-2-amine hydrochloride

(s)-(+)-deoxyephedrine

(s)-(+)-methamphetamine

(s)-(+)-n,alpha,dimethylphenethylamine

(s)-methamphetamine

(s)-methylamphetamine

(s)-n,alpha-dimethylbenzeneethanamine

(s)-n,alpha-dimethylbenzeneethanoamine

1-Phenyl-2-methylamino-propan [German]

1-Phenyl-2-methylaminopropane

2S-(+)-Methamphetamine

313

51-57-0; D02242; Desoxyn (TN); Methamphetamine hydrochloride (JP16/USP)

537-46-2; C07164; Methamphetamine

537-46-2; D08187; Metamfetamine (INN); Methamphetamine

D-(s)-methamphetamine

d-1-Phenyl-2-methylaminopropan [German]

D-1-Phenyl-2-methylaminopropane

D-deoxyephedrine

D-desoxyephedrine

D-methamphetamine

D-methylamphetamine

D-n,alpha-dimethylphenethylamine

D-n-methylamphetamine

D-phenylisopropylmethylamine

DAP001496

Desoxyephedrine hydrochloride

Desoxyn

Desyphed

Desyphed hydrochloride

Dl-methamphetamine

Ice

JAN

JAN)

L-methamphetamine

LS-189937

Metamfetamina [inn-spanish]

Metamfetamine

Metamfetamine (INN); Methamphetamine HCl (FDA

Metamfetamine-m

metamfetamine; metamfetaminum; metanfetamina

Metamfetaminum [inn-latin]

Metamphetamine

Metanfetamina [inn-spanish]

Meth

Methamfetamine

Methamphetamine Hydrochloride

Methamphetamine Hydrochloride (FDA

Methamphetaminum [inn-latin]

Methyl-beta-phenylisopropylamine

Methylamphetamine

MFCD00079115

MFCD00079140

N-Methyl-1-phenyl-2-propanamine

N-methyl-beta-phenylisopropylamin [german]

N-methyl-beta-phenylisopropylamine

N-methylamphetamine

Norodin

S-(+)-methamphetamine

Speed

Stimulex

USP

USP)

USP); Metamfetamine (INN)

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) 2.23 0.61 -34.22 2 1 1 17 150.245 3 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.365 Bitter DB
ALOGPS_SOLUBILITY 9.28e-01 g/l DrugBank-approved
Patent Database Links EP1082318; EP1130018; EP1553091; EP1568770; EP1690531; EP1785144; EP1815846; EP1825851; EP1829527; EP1829528; EP1829534; EP1844769; GB2361473; US2002048798; US2002090661; US2003119083; US2004142904; US2005009815; US2005080078; US2005084943; US2005096387 ChEBI
UniProt Database Links FAAH1_HUMAN; NAT8L_HUMAN; NAT8L_MOUSE; NAT8L_RAT; PHLP1_MOUSE; SNX27_RAT; ZMAT3_MOUSE ChEBI
Patent Database Links US2007185018 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 8320 0.65 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SGMR1_HUMAN Q99720 Sigma Opioid Receptor, Human 8320 0.65 Binding ≤ 10μM

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