BROSTALLICIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: RPC6R41K4I

Structure
InChI Key RXOVOXFAAGIKDQ-UHFFFAOYSA-N
Smile C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCN=C(N)N)n(C)c4)n(C)c3)n(C)c2)n(C)c1
InChI
InChI=1S/C30H35BrN12O5/c1-16(31)25(44)36-17-9-22(41(3)12-17)27(46)38-19-11-24(43(5)14-19)29(48)39-20-10-23(42(4)15-20)28(47)37-18-8-21(40(2)13-18)26(45)34-6-7-35-30(32)33/h8-15H,1,6-7H2,2-5H3,(H,34,45)(H,36,44)(H,37,47)(H,38,46)(H,39,48)(H4,32,33,35)

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H35BrN12O5
Molecular Weight 723.59
AlogP 1.65
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 12.0
Polar Surface Area 229.62
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 48.0

Pharmacology

Action Mechanism of Action Reference
DISRUPTING AGENT DNA disrupting agent PubMed PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Liposarcoma, Myxoid 2 D018208 ClinicalTrials
Triple Negative Breast Neoplasms 2 D064726 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 203258-60-0
ChEMBL CHEMBL1189025
DrugBank DB06598
EPA CompTox DTXSID70174222
FDA SRS RPC6R41K4I
PharmGKB PA166119001
PubChem 6918408
SureChEMBL SCHEMBL3678233
ZINC ZINC000003979512
CONTENTS