General Information of the Compound
| Compound ID |
CP0373240
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| Compound Name |
2-((4S)-4-((1H-indol-3-yl)methyl)-5-oxo-1-phenyl-4H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepin-6(5H)-yl)-N-benzyl-N-isopropylacetamide
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| Synonyms |
1FGZ6L9SF2
6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine-6-acetamide, 4,5-dihydro-4-(1H-indol-3-ylmethyl)-N-(1-methylethyl)-5-oxo-1-phenyl-N-(phenylmethyl)-, (-)-
6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine-6-acetamide, 4,5-dihydro-4-(1H-indol-3-ylmethyl)-N-(1-methylethyl)-5-oxo-1-phenyl-N-(phenylmethyl)-, (S)-
BDBM50329179
CE 326597
CE-326,597
CE-326597
CHEMBL1269258
DB12694
GTPL9055
J3.552.307C
UNII-1FGZ6L9SF2
compound 4a [PMID: 20851601]
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| Structure |
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| Formula |
C37H34N6O2
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| Molecular Weight |
594.719
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| Canonical SMILES |
CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@H](Cc2c[nH]c3ccccc23)C1=O
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| InChI |
InChI=1S/C37H34N6O2/c1-25(2)41(23-26-13-5-3-6-14-26)34(44)24-42-32-19-11-12-20-33(32)43-35(27-15-7-4-8-16-27)39-40-36(43)30(37(42)45)21-28-22-38-31-18-10-9-17-29(28)31/h3-20,22,25,30,38H,21,23-24H2,1-2H3/t30-/m0/s1
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| InChIKey |
UBNMGTSDHSQBEL-PMERELPUSA-N
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| CAS |
870615-40-0
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00958, Cholecystokinin receptor type A
Protein ID: PT01365, Cholecystokinin receptor type A
Clinical Information about the Compound