EC-0652
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- EC-0652
- DrugBank Accession Number
- DB15340
- Background
EC-0652 is under investigation in clinical trial NCT02202447 (Phase 1 of EC1169 In Patients With Recurrent MCRPC).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 1060.14
Monoisotopic: 1059.421912843 - Chemical Formula
- C47H65N9O17S
- Synonyms
- Not Available
- External IDs
- EC0652
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- RWY5U5KZV3
- CAS number
- 1025066-50-5
- InChI Key
- VHRCAJFLDBPRPG-POFDKVPJSA-N
- InChI
- InChI=1S/C47H65N9O17S/c48-29(40(63)52-34(24-39(61)62)43(66)54-35(26-74)46(71)72)25-50-41(64)32(22-27-12-6-4-7-13-27)53-42(65)33(23-28-14-8-5-9-15-28)51-37(58)16-10-2-1-3-11-21-49-36(57)19-17-30(44(67)68)55-47(73)56-31(45(69)70)18-20-38(59)60/h4-9,12-15,29-35,74H,1-3,10-11,16-26,48H2,(H,49,57)(H,50,64)(H,51,58)(H,52,63)(H,53,65)(H,54,66)(H,59,60)(H,61,62)(H,67,68)(H,69,70)(H,71,72)(H2,55,56,73)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
- IUPAC Name
- (2S)-2-({[(1S)-3-[(7-{[(1S)-1-{[(1S)-1-{[(2S)-2-amino-2-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}heptyl)carbamoyl]-1-carboxypropyl]carbamoyl}amino)pentanedioic acid
- SMILES
- N[C@@H](CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCCCCCCNC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(O)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 75531293
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00429 mg/mL ALOGPS logP -0.76 ALOGPS logP -4.1 Chemaxon logS -5.4 ALOGPS pKa (Strongest Acidic) 2.58 Chemaxon pKa (Strongest Basic) 7.12 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 18 Chemaxon Hydrogen Donor Count 15 Chemaxon Polar Surface Area 428.25 Å2 Chemaxon Rotatable Bond Count 36 Chemaxon Refractivity 259.02 m3·mol-1 Chemaxon Polarizability 107.71 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 15:16 / Updated at June 12, 2020 16:53