GDC-0152

Search structure
Synonyms:
Status: Phase 1
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: 4KW1M48SHS

Structure
InChI Key WZRFLSDVFPIXOV-LRQRDZAKSA-N
Smile CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1
InChI
InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H34N6O3S
Molecular Weight 498.65
AlogP 2.81
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 116.32
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 35.0

Pharmacology

Primary Target
baculoviral IAP repeat containing 2
baculoviral IAP repeat containing 3
baculoviral IAP repeat containing 7
X-linked inhibitor of apoptosis
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
- 10 14 17-14500 -
Other cytosolic protein
- 21-53 28-112 28-29800 -
Unclassified protein
- - - 14 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 873652-48-3
ChEMBL CHEMBL2063869
DrugBank DB12380
EPA CompTox DTXSID00236307
FDA SRS 4KW1M48SHS
Guide to Pharmacology 7733
PubChem 46940575
SureChEMBL SCHEMBL10166489
ZINC ZINC000084654490
CONTENTS