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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.97	11.27	-39.66	2	2	1	20	315.506	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.97	9.08	-5.67	1	2	0	19	314.498	4	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
ALOGPS_SOLUBILITY	5.84e-04 g/l	DrugBank-withdrawn
mechanism	Agonist at the dopamine D2, D1 and serotonin 5-HT(1A), 5-HT(1B), 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptors	IBScreen Bioactives
biological_use	Also used for veterinary purposes.	IBScreen Bioactives
Target	Dopamine Receptor	Selleck Chemicals
therap	dopamine receptor agonist	MicroSource Spectrum
Therapy	Dopamine receptor agonist; antiparkinsonian	SMDC Iconix
PUBCHEM_PATENT_ID	EP0026671A1; EP0185491A1; EP0314387A1; EP0314387B1; US4166182; US4180582; US4202979; US4246265; US4675322; US4683313; US4782152; US4797405; US4801712; US5114948; US5416090; WO2000044748A1	IBM Patent Data
PUBCHEM_SUBSTANCE_COMMENT	NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 101757; 1 methanesulfonic acid	NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT	SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 101757; SALT: 1 methanesulfonic acid	NIH Clinical Collection via PubChem
biological_use	Used to treat various conditions including Parkinson's disease, hyperprolactinemia, and restless leg syndrome.	IBScreen Bioactives

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DRD1-1-E	Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	50	0.46	Binding ≤ 10μM
DRD3-1-E	Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	70	0.46	Binding ≤ 10μM
DRD4-3-E	Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic	Eukaryotes	70	0.46	Binding ≤ 10μM
DRD5-1-E	Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	70	0.46	Binding ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	7943	0.32	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	0	0.00	Functional ≤ 10μM
DRD2-23-E	Dopamine D2 Receptor (cluster #23 Of 24), Eukaryotic	Eukaryotes	70	0.46	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
DRD1_RAT	P18901	Dopamine D1 Receptor, Rat	70	0.46	Binding ≤ 1μM
DRD1_BOVIN	Q95136	Dopamine D1 Receptor, Bovin	50	0.46	Binding ≤ 1μM
DRD2_RAT	P61169	Dopamine D2 Receptor, Rat	70	0.46	Binding ≤ 1μM
DRD2_BOVIN	P20288	Dopamine D2 Receptor, Bovin	50	0.46	Binding ≤ 1μM
DRD3_RAT	P19020	Dopamine D3 Receptor, Rat	70	0.46	Binding ≤ 1μM
DRD4_RAT	P30729	Dopamine D4 Receptor, Rat	70	0.46	Binding ≤ 1μM
DRD5_RAT	P25115	Dopamine D5 Receptor, Rat	70	0.46	Binding ≤ 1μM
DRD1_BOVIN	Q95136	Dopamine D1 Receptor, Bovin	50	0.46	Binding ≤ 10μM
DRD1_RAT	P18901	Dopamine D1 Receptor, Rat	70	0.46	Binding ≤ 10μM
DRD2_RAT	P61169	Dopamine D2 Receptor, Rat	70	0.46	Binding ≤ 10μM
DRD2_BOVIN	P20288	Dopamine D2 Receptor, Bovin	50	0.46	Binding ≤ 10μM
DRD3_RAT	P19020	Dopamine D3 Receptor, Rat	70	0.46	Binding ≤ 10μM
DRD4_RAT	P30729	Dopamine D4 Receptor, Rat	70	0.46	Binding ≤ 10μM
DRD5_RAT	P25115	Dopamine D5 Receptor, Rat	70	0.46	Binding ≤ 10μM
Z50425	Z50425	Plasmodium Falciparum	3981.07171	0.34	Functional ≤ 10μM
Z50597	Z50597	Rattus Norvegicus	0.1	0.64	Functional ≤ 10μM

Description	Species
Dopamine receptors	Rattus norvegicus (DRD3_RAT) Bos taurus (DRD1_BOVIN)
G alpha (i) signalling events	Rattus norvegicus (DRD3_RAT)
G alpha (s) signalling events	Bos taurus (DRD1_BOVIN)