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)	1.40	4.17	-47.88	3	5	1	66	296.416	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.40	1.7	-14.32	2	5	0	65	295.408	6	↓ MOL2 SDF SMILES Flexibase

Vendor Notes

Note Type	Comments	Provided By
Therapy	5HT agonist	SMDC Pharmakon
ALOGPS_SOLUBILITY	1.27e-01 g/l	DrugBank-approved
Target	5-HT Receptor	Selleck Chemicals
therap	5HT agonist	MicroSource Pharmakon
Indications	antimigraine	KeyOrganics Bioactives
PUBCHEM_SUBSTANCE_COMMENT	NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01780s; 1 succinic acid	NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT	SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01780s; SALT: 1 succinic acid	NIH Clinical Collection via PubChem

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	450	0.44	Binding ≤ 10μM
5HT1B-1-E	Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	23	0.53	Binding ≤ 10μM
5HT1D-1-E	Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	8	0.57	Binding ≤ 10μM
5HT1E-1-E	Serotonin 1e (5-HT1e) Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	5500	0.37	Binding ≤ 10μM
5HT1F-1-E	Serotonin 1f (5-HT1f) Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	26	0.53	Binding ≤ 10μM
5HT2A-1-E	Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	376	0.45	Binding ≤ 10μM
5HT2C-1-E	Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	7900	0.36	Binding ≤ 10μM
5HT3A-1-E	Serotonin 3a (5-HT3a) Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	9	0.56	Binding ≤ 10μM
5HT1B-1-E	Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	77	0.50	Functional ≤ 10μM
5HT1D-1-E	Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	5	0.58	Functional ≤ 10μM
5HT1F-1-E	Serotonin 1f (5-HT1f) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	35	0.52	Functional ≤ 10μM
Z50588-6-O	Canis Familiaris (cluster #6 Of 7), Other	Other	49	0.51	Functional ≤ 10μM
Z50592-1-O	Oryctolagus Cuniculus (cluster #1 Of 8), Other	Other	2400	0.39	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
5HT1A_RAT	P19327	Serotonin 1a (5-HT1a) Receptor, Rat	640	0.43	Binding ≤ 1μM
5HT1A_MOUSE	Q64264	Serotonin 1a (5-HT1a) Receptor, Mouse	450	0.44	Binding ≤ 1μM
5HT1A_HUMAN	P08908	Serotonin 1a (5-HT1a) Receptor, Human	230	0.46	Binding ≤ 1μM
5HT1B_HUMAN	P28222	Serotonin 1b (5-HT1b) Receptor, Human	10	0.56	Binding ≤ 1μM
5HT1B_RAT	P28564	Serotonin 1b (5-HT1b) Receptor, Rat	23	0.53	Binding ≤ 1μM
5HT1D_HUMAN	P28221	Serotonin 1d (5-HT1d) Receptor, Human	1.2	0.62	Binding ≤ 1μM
5HT1D_PIG	P79400	Serotonin 1d (5-HT1d) Receptor, Pig	19	0.54	Binding ≤ 1μM
5HT1D_RAT	P28565	Serotonin 1d (5-HT1d) Receptor, Rat	61	0.51	Binding ≤ 1μM
5HT1F_HUMAN	P30939	Serotonin 1f (5-HT1f) Receptor, Human	25.7	0.53	Binding ≤ 1μM
5HT2A_HUMAN	P28223	Serotonin 2a (5-HT2a) Receptor, Human	376	0.45	Binding ≤ 1μM
5HT2C_HUMAN	P28335	Serotonin 2c (5-HT2c) Receptor, Human	7.3	0.57	Binding ≤ 1μM
5HT3A_HUMAN	P46098	Serotonin 3a (5-HT3a) Receptor, Human	9.3	0.56	Binding ≤ 1μM
5HT1A_MOUSE	Q64264	Serotonin 1a (5-HT1a) Receptor, Mouse	450	0.44	Binding ≤ 10μM
5HT1A_RAT	P19327	Serotonin 1a (5-HT1a) Receptor, Rat	1300	0.41	Binding ≤ 10μM
5HT1A_HUMAN	P08908	Serotonin 1a (5-HT1a) Receptor, Human	230	0.46	Binding ≤ 10μM
5HT1B_RAT	P28564	Serotonin 1b (5-HT1b) Receptor, Rat	23	0.53	Binding ≤ 10μM
5HT1B_HUMAN	P28222	Serotonin 1b (5-HT1b) Receptor, Human	10	0.56	Binding ≤ 10μM
5HT1D_RAT	P28565	Serotonin 1d (5-HT1d) Receptor, Rat	61	0.51	Binding ≤ 10μM
5HT1D_HUMAN	P28221	Serotonin 1d (5-HT1d) Receptor, Human	1.2	0.62	Binding ≤ 10μM
5HT1D_PIG	P79400	Serotonin 1d (5-HT1d) Receptor, Pig	19	0.54	Binding ≤ 10μM
5HT1E_HUMAN	P28566	Serotonin 1e (5-HT1e) Receptor, Human	5500	0.37	Binding ≤ 10μM
5HT1F_HUMAN	P30939	Serotonin 1f (5-HT1f) Receptor, Human	25.7	0.53	Binding ≤ 10μM
5HT2A_HUMAN	P28223	Serotonin 2a (5-HT2a) Receptor, Human	376	0.45	Binding ≤ 10μM
5HT2C_HUMAN	P28335	Serotonin 2c (5-HT2c) Receptor, Human	7.3	0.57	Binding ≤ 10μM
5HT3A_HUMAN	P46098	Serotonin 3a (5-HT3a) Receptor, Human	9.3	0.56	Binding ≤ 10μM
Z50588	Z50588	Canis Familiaris	400	0.45	Functional ≤ 10μM
Z50592	Z50592	Oryctolagus Cuniculus	173.5	0.47	Functional ≤ 10μM
5HT1B_HUMAN	P28222	Serotonin 1b (5-HT1b) Receptor, Human	38.3	0.52	Functional ≤ 10μM
5HT1D_HUMAN	P28221	Serotonin 1d (5-HT1d) Receptor, Human	14	0.55	Functional ≤ 10μM
5HT1F_HUMAN	P30939	Serotonin 1f (5-HT1f) Receptor, Human	35	0.52	Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description	Species
G alpha (i) signalling events	Mus musculus (5HT1A_MOUSE) Rattus norvegicus (5HT1B_RAT) Homo sapiens (5HT1A_HUMAN)
G alpha (q) signalling events	Homo sapiens (5HT2A_HUMAN)
Ligand-gated ion channel transport	Homo sapiens (5HT3A_HUMAN)
Serotonin receptors	Homo sapiens (5HT1A_HUMAN) Mus musculus (5HT1A_MOUSE) Rattus norvegicus (5HT1B_RAT)

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

No pre-computed analogs available. Try a structural similarity search.

Synonyms (90)
Vendors (31)
Annotations (31)
Representations (2)
Notes (7)
Targets (30)
Clustered (13)
Reactome (4)
Rings (0)
Analogs (0)