ABT-751

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: WDT5V5OB9F

Structure
InChI Key URCVCIZFVQDVPM-UHFFFAOYSA-N
Smile COc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1
InChI
InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H17N3O4S
Molecular Weight 371.42
AlogP 3.34
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 100.55
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tubulin beta inhibitor PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Structural protein
- 2200-3200 - 1510 40-96

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neuroblastoma 2 D009447 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Hematologic Neoplasms 1 D019337 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 1 D054198 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 141430-65-1
ChEBI 95043
ChEMBL CHEMBL20684
DrugBank DB12254
FDA SRS WDT5V5OB9F
PDB E70
PubChem 3035714
SureChEMBL SCHEMBL111645
ZINC ZINC000000598089
CONTENTS