ABT-510

Search structure
Synonyms:
Status: Phase 2
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: CRR8E37XOB

Structure
InChI Key RIWLPSIAFBLILR-WVNGMBSFSA-N
Smile CCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN(C)C(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC)[C@@H](C)CC
InChI
InChI=1S/C46H83N13O11/c1-12-18-30(39(64)55-36(26(7)13-2)42(67)53-31(19-16-21-50-46(47)48)45(70)59-22-17-20-32(59)40(65)49-15-4)52-44(69)38(28(9)60)57-43(68)37(27(8)14-3)56-41(66)35(25(5)6)54-33(62)23-51-34(63)24-58(11)29(10)61/h25-28,30-32,35-38,60H,12-24H2,1-11H3,(H,49,65)(H,51,63)(H,52,69)(H,53,67)(H,54,62)(H,55,64)(H,56,66)(H,57,68)(H4,47,48,50)/t26-,27-,28+,30-,31-,32-,35-,36-,37+,38-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C46H83N13O11
Molecular Weight 994.25
AlogP -2.4
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 11.0
Number of Rotational Bond 30.0
Polar Surface Area 358.05
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 70.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hodgkin Disease 2 D006689 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Lymphoma, Non-Hodgkin 2 D008228 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Head and Neck Neoplasms 1 D006258 ClinicalTrials
Brain Neoplasms 1 D001932 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 251579-55-2
ChEMBL CHEMBL386115
DrugBank DB05434
FDA SRS CRR8E37XOB
PubChem 6918562
ZINC ZINC000169362874
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