Responsive image

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

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

Responsive image

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 Responsive image C(C)C 0.2412
FDBF00010 indole Responsive image [nH]1ccc2c1cccc2 0.0086
FDBF00014 pyridine Responsive image c1cccnc1 0.0333
FDBF00208 propan-2-amine Responsive image CC(N)C 0.0210
FDBF01000 piperazine-1-carbaldehyde Responsive image O=CN1CCNCC1 0.0014
FDBF01634 4-(2-pyridyl)piperazine-1-carbaldehyde Responsive image O=CN1CCN(CC1)c2ncccc2 0.0003
FDBF01635 pyridin-3-amine Responsive image Nc1cnccc1 0.0003
FDBF01637 N-isopropylpyridin-3-amine Responsive image N(c1cnccc1)C(C)C 0.0003
9 , 1