Bioactive Compound Details

BioIDbio3556
NameSELICICLIB
ChEMBL IDCHEMBL14762
Molecular FormulaC19H26N6O
Molecular Weight354.46
Molecular Weight (Monoisotopic)354.2168
TypeSmall molecule
Max PhasePhase 2
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsAL-39256|CYC-202|NSC-701554|R-ROSCOVITINE|ROSCOVITIN|ROSCOVITINE|SELICICLIB|Seliciclib
SmilesCC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
InchiInChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
Inchi KeyBTIHMVBBUGXLCJ-OAHLLOKOSA-N
Molecular SpeciesNEUTRAL
Targets1027.0
Bioactivities3169.0
Np Likeness Score-0.75
Records Key['Roscovitine', 'Roscovitine', 'roscovitine', 'roscovitine', 'roscovitine', 'SELICICLIB', 'Roscovitine', 'Roscovitine', 'Roscovitine', 'roscovitine', 'Roscovitine', '1', 'Roscovitine', 'SID527377', 'roscovitine, seliciclib, CYC202', 'Roskovotin', '(R)-roscovitine', 'cyc202, Seliciclib', 'Roscovitine', 'Roscovitine', '(R)-roscovitine', 'Roscovitine', 'roscovitine', 'Roscovitine', 'Page 526, R5C1', 'roscovitine', '(R)-Roscovitine', '8a, (R)-roscovitine', 'Roscovitine, (Seliciclib, CYC-202)', '10, roscovitine', 'SID50107006', '(R)-roscovitine', 'SID26753649', 'roscovitine', 'Roscovitine', 'K00020, roscovitine', 'R-roscovtine', 'SID26753650', '2998', 'R-Roscovitine', 'roscovitine', 'Roscovitine', 'Roscovitine', 'Roscovitine', 'SELICICLIB', 'Ros, Seliciclib', '2, roscovitine(CYC-202)', 'roscovitine', 'R-Roscovitine', 'roscovitine', '2, Ros', 'NCGC00094374-01', '14', 'Roscovitine/CYC-202', 'Roscovitine', 'Roscovitine', '1', '2', '2', 'Roscovitine', '1i', 'Seliciclib', 'seliciclib', '1, R-Roscovitine', 'Roscovitine', 'Roscovitine', 'Roscovitine (Seliciclib; CYC202)', '2', '1, alphaR-1, CYC202, Seliciclib, R-roscovitine', 'roscovitine (R)', '26', 'Roscovitine', '50', 'Roscovitine', 'ROSCOVITINE (SELICICLIB, CYC202)', '(R)-Roscovitine; Roscovitine', 'Selicicilib', 'Roscovitine', 'Roscovitine', 'Roscovitine', 'Roscovitine', '(R)-roscovitine, seliciclib', 'K00020', 'PC', 'Roscovitine', 'CYC202, R-roscovitine', 'Roscovitine', 'Roscovitine', '24, CYC202, Seliciclib', '1', '(R)-Roscovitine', '(R)-roscovitine', 'R-Roscovitine', '1', 'Roscovitine', 'Seliciclib; L2', 'MMV003820', 'Roscovitine', 'roscovitine', 'Roscovitine', 'Roscovitine', 'RSV', 'Roscovitine', 'roscovitine', 'Rosco', 'Roscovitine', 'Roscovitine', 'Roscovitine', '2', 'Roscovitin', 'CYC202', 'Roscov', 'roscovitine, CYC202, seliciclib', 'SELICICLIB', 'SELICICLIB', 'Roscovitine (Seliciclib; CYC202)', 'Roscovitine', 'Roscovitin', 'Roscovitine', 'Roscovitine', 'COVC-0141981692', 'Roscovitine', '10', 'Roscovitine', 'EUB0000650a', 'CR8', 'R-Roscovitine', 'Seliciclib', 'Roscovitine (Seliciclib; CYC202)', '3; CYC202', 'Roscovitine', '2', 'EUB0000650a', '2', 'Roscovitine', '2', 'Roscovitine', 'Seliciclib', '48; CYC202, aSbR-21', '53', 'Roscovitine', 'EUB0000650a', '47', 'EUB0000650a', 'Roscovitine', 'EOS101745', 'EUB0000650a', 'EUB0000650a', 'CYC202']
Records Name['(R)-2-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-butan-1-ol', '2-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-butan-1-ol', '2-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-butan-1-ol', '2-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-butan-1-ol', '2-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-butan-1-ol', 'SELICICLIB', 'Roscovitine', '2-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-butan-1-ol', 'Roscovitine', '2-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-butan-1-ol', '2-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-butan-1-ol', 'Roscovitine', 'Roscovitine', 'SID527377', 'R-Roscovitine', 'Roskovotin', '(R)-roscovitine', '(R)-roscovitine', '2-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-butan-1-ol', 'Roscovitine', '(R)-2-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-butan-1-ol', 'Roscovitine', '(R)-2-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-butan-1-ol', '(R)-2-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-butan-1-ol', '6-(benzylamino)-2-(R)-[[1-(hydroxymethyl)propyl]amino]-9-isopropylpurine', 'roscovitine', '(R)-Roscovitine', '(R)-2-(6-(benzylamino)-9-isopropyl-9H-purin-2-ylamino)butan-1-ol', '(R)-2-(6-(benzylamino)-9-isopropyl-9H-purin-2-ylamino)butan-1-ol', '(R)-2-(6-(benzylamino)-9-isopropyl-9H-purin-2-ylamino)butan-1-ol', 'SID50107006', '(R)-roscovitine', 'SID26753649', '(R)-2-(6-(benzylamino)-9-isopropyl-9H-purin-2-ylamino)butan-1-ol', 'Roscovitine', '2-(R)-(1-ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine', '(R)-2-(6-(benzylamino)-9-isopropyl-9H-purin-2-ylamino)butan-1-ol', 'SID26753650', None, 'R-Roscovitine', 'roscovitine', '2-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-butan-1-ol', '2-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-butan-1-ol', 'Roscovitine', 'SELICICLIB', '(R)-Roscovitine', '(R)-2-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-butan-1-ol', '(S)-2-((6-(benzylamino)-9-isopropyl-9H-purin-2-yl)methyl)butan-1-ol', 'R-Roscovitine', '(R)-roscovitine', 'Roscovitine', 'Roscovitine', 'Roscovitine', '2-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-butan-1-ol', 'Roscovitine', 'Roscovitine', 'roscovitine', 'Roscovitine', 'roscovitine', 'Roscovitine', '(R)-2-(6-(benzylamino)-9-isopropyl-9H-purin-2-ylamino)butan-1-ol', 'Seliciclib', 'R-roscovitine', '(2R)-2-(1-Hydroxybut-2-ylamino)-6-benzylamino-9Hisopropylpurine', 'Roscovitine', 'Roscovitine', 'Roscovitine (Seliciclib; CYC202)', 'Roscovitine', '6-Benzylamino-2-[(R)-1-ethyl-2-hydroxyethylamino]-9-isopropylpurine', '(R)2-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-butan-1-ol', '2-(6-Benzylamino-9-isopropyl-9H
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure