
IUPAC name
N-[2-(4-{3-[(propan-2-yl)amino]pyridin-2-yl}piperazine-1-carbonyl)-1H-indol-5-yl]methanesulfonamide
SMILES
CC(C)NC1=C(N=CC=C1)N1CCN(CC1)C(=O)C1=CC2=C(N1)C=CC(NS(C)(=O)=O)=C2
Compound class
Anti-HIV Agents; Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Non-Nucleoside Reverse Transcriptase Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For the treatment of HIV-1 infection in combination with appropriate antiretroviral agents when therapy is warranted.
Common name
Delavirdine
IUPAC name
N-[2-(4-{3-[(propan-2-yl)amino]pyridin-2-yl}piperazine-1-carbonyl)-1H-indol-5-yl]methanesulfonamide
SMILES
CC(C)NC1=C(N=CC=C1)N1CCN(CC1)C(=O)C1=CC2=C(N1)C=CC(NS(C)(=O)=O)=C2
INCHI
InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3
FORMULA
C22H28N6O3S

Common name
Delavirdine
IUPAC name
N-[2-(4-{3-[(propan-2-yl)amino]pyridin-2-yl}piperazine-1-carbonyl)-1H-indol-5-yl]methanesulfonamide
Molecular weight
456.561
clogP
1.310
clogS
-5.207
HBond Acceptor
5
HBond Donor
3
Total Polar Surface Area
110.43
Number of Rings
4
Rotatable Bond
7
Drug ID | Common name | Structure CAS | SMILE | Frequency |
---|---|---|---|---|
FDBF00007 | propane |
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C(C)C | 0.2412 |
FDBF00010 | indole |
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[nH]1ccc2c1cccc2 | 0.0086 |
FDBF00014 | pyridine |
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c1cccnc1 | 0.0333 |
FDBF00208 | propan-2-amine |
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CC(N)C | 0.0210 |
FDBF01000 | piperazine-1-carbaldehyde |
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O=CN1CCNCC1 | 0.0014 |
FDBF01634 | 4-(2-pyridyl)piperazine-1-carbaldehyde |
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O=CN1CCN(CC1)c2ncccc2 | 0.0003 |
FDBF01635 | pyridin-3-amine |
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Nc1cnccc1 | 0.0003 |
FDBF01637 | N-isopropylpyridin-3-amine |
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N(c1cnccc1)C(C)C | 0.0003 |