GS-9901

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: U09Q76B8VK

Structure
InChI Key XDSXYMOZKDUASY-INIZCTEOSA-N
Smile N#Cc1c(N)nc(N)nc1N[C@H](c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1)C1CC1
InChI
InChI=1S/C22H17ClFN9O/c23-13-5-6-14(24)17-15(13)21(34)33(11-2-1-7-28-9-11)20(30-17)16(10-3-4-10)29-19-12(8-25)18(26)31-22(27)32-19/h1-2,5-7,9-10,16H,3-4H2,(H5,26,27,29,31,32)/t16-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H17ClFN9O
Molecular Weight 477.89
AlogP 2.96
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 161.42
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 34.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
0-2 100 - - -
Enzyme
0-2 100 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Lymphocytic, Chronic, B-Cell 1 D015451 ClinicalTrials
Lymphoma, Follicular 1 D008224 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3928407
FDA SRS U09Q76B8VK
PDB 77C
PubChem 86763204
ZINC ZINC000220883766
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