General Information of Drug (ID:
DR1890) |
Drug Name |
JTT-705
|
Synonyms |
Dalcetrapib; Dalcetrapib (JTT-705; Dalcetrapib (JTT-705, RO4607381); Dalcetrapib (USAN/INN); JTT 705; JTT-705; JTT705; PubChem22426; RG-1658; RO-4607381; RO-4607381); RO4607381; Tube711; dalcetrapib-jtt-705; 2-Methylpropanethioic acid S-[2-[1-(2-ethylbutyl)cyclohexylcarboxamido]phenyl] ester; 211513-37-0; 3D050LIQ3H; AC1OCFK8; AK185456; CHEMBL313006; S-2-(1-(2-ethylbutyl)cyclohexanecarboxamido)phenyl 2-methylpropanethioate; S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate; UNII-3D050LIQ3H
|
Indication |
Acute coronary syndrome
[ICD11: BA4Z]
|
Phase 3
|
[1]
|
Structure |
|
|
3D MOL
|
2D MOL
|
Pharmaceutical Properties |
Molecular Weight |
389.6 |
Topological Polar Surface Area |
71.5 |
Heavy Atom Count |
27 |
Rotatable Bond Count |
9 |
Hydrogen Bond Donor Count |
1 |
Hydrogen Bond Acceptor Count |
3 |
Cross-matching ID |
- PubChem CID
- 6918540
- PubChem SID
-
12015448
; 14927643
; 17194949
; 43529910
; 57371967
; 79689040
; 103294369
; 103990387
; 114788136
; 124490448
; 126671653
; 126731316
; 129871265
; 134339100
; 135261049
; 136367976
; 137157003
; 142130542
; 143495520
; 144115880
; 144221104
; 152106359
; 152159578
; 152234923
; 152258615
; 160647450
; 162011639
; 162205179
; 162221183
; 163914131
; 164194108
; 165246672
; 170498253
; 174528320
; 177748646
; 180387047
; 185972146
; 198984686
; 198991964
; 223471416
; 223664086
; 226840175
; 241051420
; 251971148
; 252160607
; 252215631
; 252314519
- ChEBI ID
-
- CAS Number
-
- TTD Drug ID
- D05SSC
- Formula
- C23H35NO2S
- Canonical SMILES
- CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(C)C
- InChI
- 1S/C23H35NO2S/c1-5-18(6-2)16-23(14-10-7-11-15-23)22(26)24-19-12-8-9-13-20(19)27-21(25)17(3)4/h8-9,12-13,17-18H,5-7,10-11,14-16H2,1-4H3,(H,24,26)
- InChIKey
- YZQLWPMZQVHJED-UHFFFAOYSA-N
|
|
|
|
|
|
|
|
If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.