Bioactive Compound Details

BioIDbio183763
NameTAGTOCICLIB
ChEMBL IDCHEMBL5201870
Molecular FormulaC19H28N6O4
Molecular Weight404.47
Molecular Weight (Monoisotopic)404.2172
TypeSmall molecule
Max PhasePhase 2
Target IDTar57
Target NameNone
SynonymsPF-07104091|TAGTOCICLIB
SmilesCOCc1cc(C(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)[nH]n2)n(C)n1
InchiInChI=1S/C19H28N6O4/c1-11(2)20-19(27)29-14-6-5-12(7-14)15-9-17(23-22-15)21-18(26)16-8-13(10-28-4)24-25(16)3/h8-9,11-12,14H,5-7,10H2,1-4H3,(H,20,27)(H2,21,22,23,26)/t12-,14+/m0/s1
Inchi KeyMTNBRBDFNSGQKB-GXTWGEPZSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities6.0
Np Likeness Score-1.04
Records Key['TAGTOCICLIB', '19; PF-07104091', 'TAGTOCICLIB', '2; PF-07104091']
Records Name['TAGTOCICLIB', '(1R,3S)-3-(3-(3-(methoxymethyl)-1-methyl-1H-pyrazole-5-carboxamido)-1H-pyrazol-5-yl)cyclopentyl isopropylcarbamate', 'TAGTOCICLIB', '(1R,3S)-3-(3-(3-(methoxymethyl)-1-methyl-1H-pyrazole-5-carboxamido)-1H-pyrazol-5-yl)cyclopentyl isopropylcarbamate']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure