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name Structure Reference Source Properties Activities Metabolism

N2-(3-((4-((3-Aminopropyl)amino)butyl)amino)propyl)-N4,3,3-trimethyl-N4-phenyl-3,4-dihydroquinoline-2,4-diamine

AlkaPlorer ID: AK003639

Synonym: None

IUPAC Name: N-(3-aminopropyl)-N'-[3-[[3,3-dimethyl-4-(N-methylanilino)-1,4-dihydroquinolin-2-ylidene]amino]propyl]butane-1,4-diamine

Structure

SMILES: CC1(C(C2=CC=CC=C2NC1=NCCCNCCCCNCCCN)N(C)C3=CC=CC=C3)C

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InChI: InChI=1S/C28H44N6/c1-28(2)26(34(3)23-13-5-4-6-14-23)24-15-7-8-16-25(24)33-27(28)32-22-12-21-31-19-10-9-18-30-20-11-17-29/h4-8,13-16,26,30-31H,9-12,17-22,29H2,1-3H3,(H,32,33)

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InChIKey: PEOHNOWDCJWHSD-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 464.7020000000002

TPSA？: 77.71

MolLogP？: 4.412600000000004

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bos taurus Phosphodiesterase 1 IC50 8000.0 nM 10.1021/jm050018q
Cricetulus griseus CHO Drug uptake 3.3 nmol/mg 10.1021/jm050018q
Cricetulus griseus CHO-MG Drug uptake 3.2 nmol/mg 10.1021/jm050018q
Mus musculus L1210 Drug uptake 0.02 nmol/mg 10.1021/jm050018q
Mus musculus L1210 Drug uptake 0.41 nmol/mg 10.1021/jm050018q
Mus musculus L1210 Drug uptake 0.6 nmol/mg 10.1021/jm050018q
Mus musculus L1210 Drug uptake 1.8 nmol/mg 10.1021/jm050018q
Mus musculus L1210 Drug uptake 2.6 nmol/mg 10.1021/jm050018q
Mus musculus L1210 Drug uptake 7.6 nmol/mg 10.1021/jm050018q
Mus musculus L1210 Drug uptake 9.5 nmol/mg 10.1021/jm050018q
Mus musculus L1210 Drug uptake 16.0 nmol/mg 10.1021/jm050018q
Mus musculus L1210 IC50 2300.0 nM 10.1021/jm050018q
None Unchecked IC50 1060.0 nM 10.1016/j.ejmech.2019.112008
None Unchecked Kd 150.0 nM 10.1016/j.ejmech.2019.112008
None Unchecked Selectivity ratio 1.0 None 10.1021/jm050018q

Metabolism Information