Nevanimibe hydrochlorideProduct ingredient for Nevanimibe
- Name
- Nevanimibe hydrochloride
- Drug Entry
- Nevanimibe
Nevanimibe is under investigation in clinical trial NCT03053271 (A Study of ATR-101 for the Treatment of Endogenous Cushing's Syndrome).
- Accession Number
- DBSALT003308
- Structure
Structure for Nevanimibe hydrochloride (DBSALT003308)
- Synonyms
- ATR-101 HYDROCHLORIDE / N-(2,6-BIS(PROPAN-2-YL)PHENYL)-N'-((1-(4-(DIMETHYLAMINO)PHENYL) CYCLOPENTYL)METHYL)UREA HYDROCHLORIDE / PD-132301 HYDROCHLORIDE / UREA, N-(2,6-BIS(1-METHYLETHYL)PHENYL)-N'-((1-(4-(DIMETHYLAMINO)PHENYL)CYCLOPENTYL)METHYL)-, HYDROCHLORIDE (1:1)
- External IDs
- PD 132301-02 / PD-132301-02 / PD-132301-2 / PD132301-2
- UNII
- TK694ZFS57
- CAS Number
- 133825-81-7
- Weight
- Average: 458.09
Monoisotopic: 457.2859906 - Chemical Formula
- C27H40ClN3O
- InChI Key
- SDOOGTHIDFZUNM-UHFFFAOYSA-N
- InChI
- InChI=1S/C27H39N3O.ClH/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6;/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31);1H
- IUPAC Name
- 1-[2,6-bis(propan-2-yl)phenyl]-3-({1-[4-(dimethylamino)phenyl]cyclopentyl}methyl)urea hydrochloride
- SMILES
- Cl.CC(C)C1=CC=CC(C(C)C)=C1NC(=O)NCC1(CCCC1)C1=CC=C(C=C1)N(C)C
- External Links
- ChemSpider
- 116345
- ChEMBL
- CHEMBL542103
- Predicted Properties
Property Value Source logP 6.88 Chemaxon pKa (Strongest Acidic) 13.67 Chemaxon pKa (Strongest Basic) 4.89 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 44.37 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 132.94 m3·mol-1 Chemaxon Polarizability 50.7 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon