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Chemical structure of MMV008138

GC36637

MMV008138

Also known as (1R,3S)-1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

MMV008138 is a species-selective IspD (enzyme 2-C-methyl-d-erythritol 4-phosphate cytidylyltransferase)-targeting antimalarial agent, with an IC50 of 44 nM for PfIspD (P

ChemicalCAS1679333-73-3MW361.22FormulaC18H14Cl2N2O2
CAS number
1679333-73-3
Molecular weight
361.22
Formula
C18H14Cl2N2O2
Solubility
DMSO： 125 mg/mL (346·05 mM)
InChIKey
ZJDRIKAAFJMYGX-JKSUJKDBSA-N
Catalogue number
GC36637
Brand
GLPBIO
Computed properties PubChem CID 987146 · XLogP 1.8 · TPSA 65.1 Ų · H-bond donors 3
XLogP
1.8
TPSA
65.1 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
24

SMILES C1[C@H](N[C@@H](C2=C1C3=CC=CC=C3N2)C4=C(C=C(C=C4)Cl)Cl)C(=O)O

Computed descriptors from PubChem (CID 987146), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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