Compound 8

Identifiers

Canonical SMILES:

CN1c2ncnn2[C@H](C2=C1c1ccccc1O[C@@H]2c1ccc(Br)cc1)c1ccc(cc1)C#N

InChi:

InChI=1S/C26H18BrN5O/c1-31-24-20-4-2-3-5-21(20)33-25(18-10-12-19(27)13-11-18)22(24)23(32-26(31)29-15-30-32)17-8-6-16(14-28)7-9-17/h2-13,15,23,25H,1H3/t23-,25+/m0/s1

InChiKey:
```
LRJDBZGHSHPPKN-UKILVPOCSA-N
```

External links

44549629

External search

Bibliography (1)

Publication	Name
Allen JG, Bourbeau MP, Wohlhieter GE, Bartberger MD, Michelsen K, Hungate R, Gadwood RC, Gaston RD, Evans B, Mann LW, Matison ME, Schneider S, Huang X, Yu D, Andrews PS, Reichelt A, Long AM, Yakowec P, Yang EY, Lee TA, Oliner JD. . Discovery and optimization of chromenotriazolopyrimidines as potent inhibitors of the mouse double minute 2-tumor protein 53 protein-protein interaction. Journal of medicinal chemistry.	21

Publication

Name

Allen JG, Bourbeau MP, Wohlhieter GE, Bartberger MD, Michelsen K, Hungate R, Gadwood RC, Gaston RD, Evans B, Mann LW, Matison ME, Schneider S, Huang X, Yu D, Andrews PS, Reichelt A, Long AM, Yakowec P, Yang EY, Lee TA, Oliner JD. . Discovery and optimization of chromenotriazolopyrimidines as potent inhibitors of the mouse double minute 2-tumor protein 53 protein-protein interaction. Journal of medicinal chemistry.

Pharmacological data

Biochemical tests	Cellular tests	PK tests	Cytotoxicity tests
1	0	0	0

Targets

PPI family	Best activity	Diseases	MMoA
MDM2-Like / P53	5.23	cancer	Inhibition

Physicochemical filters

Descriptor	Lipinski's RO5	Veber	Pfizer's 3/75
MW	≤ 500 g/mol	-	-
AlogP	≤ 5	-	≤ 3
HBA	≤ 10	-	-
HBD	≤ 5	-	-
(HBA + HBD)	-	≤ 12	-
TPSA	-	≤ 140 Å²	≥ 75 Å²
RB	-	≤ 10	-

	Descriptor	Lipinski's RO5	Veber	Pfizer's 3/75
Compliance
MW	495.07 g/mol
HBA	6
HBD	0
HBA + HBD	6
AlogP	5.59
TPSA	66.97
RB	2

iPPI-DB

Compound 8

Identifiers

External links

External search

Bibliography (1)

Pharmacological data

Targets

Physicochemical filters

Radar chart

PCA : iPPI-DB chemical space

PCA : Correlation circle