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Cardiovascular Biology Pathways
CCR8 antagonist 1 Cas#: 723304-76-5(DMSO)
Formula: C26H29N3O5S Molecular Weight: 495.59
SMILES: O=C(N1CCC(NS(=O)(C2=C3C=CC=CC3=C(NC(C4=CC=CC=C4C)=O)C=C2)=O)CC1)OCC
MK-0812 Succinate Cas#: 851916-42-2(DMSO)
Formula: C28H40F3N3O7 Molecular Weight: 587.63
SMILES: O=C([C@]1(C(C)C)C[C@H](N[C@H]2CCOC[C@H]2OC)CC1)N3CCC(N=CC(C(F)(F)F)=C4)=C4C3.O=C(O)CCC(O)=O
Cenicriviroc Mesylate Cas#: 497223-28-6(DMSO)
Formula: C42H56N4O7S2 Molecular Weight: 793.05
SMILES: O=C(/C1=C/C2=CC(C3=CC=C(OCCOCCCC)C=C3)=CC=C2N(CC(C)C)CCC1)NC4=CC=C([S@](CC5=CN=CN5CCC)=O)C=C4.OS(=O)(C)=O
CCR2 antagonist 3 Cas#: 1380100-86-6(DMSO)
Formula: C17H25FN2O2 Molecular Weight: 308.39
SMILES: CC1=C(C=CC(=C1)C(=O)N(C)C(CN2CC(C2)O)C(C)C)F
Vercirnon sodium Cas#: 886214-18-2(DMSO)
Formula: C22H20ClN2NaO4S Molecular Weight: 466.91
SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N=C2C=CC(=CC2=C(C3=CC=[N+](C=C3)[O-])[O-])Cl.[Na+]
CCR2 antagonist 4 Cas#: 226226-39-7(DMSO)
Formula: C21H21ClF3N3O2 Molecular Weight: 439.86
SMILES: O=C(NCC(N[C@H]1CN(CC2=CC=C(Cl)C=C2)CC1)=O)C3=CC=CC(C(F)(F)F)=C3
CCR2 antagonist 3 Cas#: 1380100-86-6
Compound CID: 57345449 Formula: C17H25FN2O2 Molecular Weight: 308.39
IUPAC Name: 4-fluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide
SMILES: CC1=C(C=CC(=C1)C(=O)N(C)C(CN2CC(C2)O)C(C)C)F
InChIKey: GAHPWXLXWUVMIV-MRXNPFEDSA-N
InChI: InChI=1S/C17H25FN2O2/c1-11(2)16(10-20-8-14(21)9-20)19(4)17(22)13-5-6-15(18)12(3)7-13/h5-7,11,14,16,21H,8-10H2,1-4H3/t16-/m1/s1
Synonyms: GTPL7704 | SCHEMBL9106608 | AZD 2927 | 4-fluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbe...
CKLF1-C27 Cas#: 891861-48-6
Formula: C151H243N39O37 Molecular Weight: 3196.78
CCR4-351 Cas#: 2174938-70-4
Formula: C24H27Cl2N7O Molecular Weight: 500.42
SMILES: [H][C@@]1(CCCN(C1)CCO)C2CN(C2)C3=CN=C(C4=N3)C(C#N)=NN4[C@H](C)C5=CC=C(C=C5Cl)Cl
CCR6 inhibitor 1 Cas#: 2437547-04-9
Formula: C24H23F3N4O3S Molecular Weight: 504.52
SMILES: O=S([C@H](CC1)CC[C@@H]1NC2=NC=C(C(F)(F)F)C=C2)(C3=CC=C(C4=CC=NC(C(N)=O)=C4)C=C3)=O
Tivumecirnon Formula: C24H27Cl2F3N6O Molecular Weight: 543.41
SMILES: C[C@H](C1=C(C=C(C=C1)Cl)Cl)N2C3=NC(=CN=C3C(=N2)C(F)(F)F)N4CC(C4)[C@H]5CCCN(C5)CCO
CCR7 Ligand 1 Formula: C22H29N5O5S Molecular Weight: 475.56
IUPAC Name: 3-[[4-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N,6-trimethylbenzamide
SMILES: CC1=C(C(=C(C=C1)NC2=NS(=O)(=O)NC2=NC(C3=CC=C(O3)C)C(C)(C)C)O)C(=O)N(C)C
InChIKey: MAYXLCLBDVEYAL-SFHVURJKSA-N
InChI: InChI=1S/C22H29N5O5S/c1-12-8-10-14(17(28)16(12)21(29)27(6)7)23-19-20(26-33(30,31)25-19)24-18(22(3,4)5)15-11-9-13(2)32-15/h8-11,18,28H,1-7H3,(H,23,25)(H,24,26)/t18-/m0/s1