Details of the Drug

General Information of Drug (ID: DMA2UYE)

Drug Name
Ro-24-7429
Indication
Disease Entry ICD 11 Status REF
Human immunodeficiency virus infection 1C62 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 272.73
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H13ClN4
IUPAC Name
7-chloro-N-methyl-5-(1H-pyrrol-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-imine
Canonical SMILES
CN=C1CN=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CN3
InChI
InChI=1S/C14H13ClN4/c1-16-13-8-18-14(12-3-2-6-17-12)10-7-9(15)4-5-11(10)19-13/h2-7,17H,8H2,1H3,(H,16,19)
InChIKey
LEAKQIXYSHIHCW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135422895
ChEBI ID
CHEBI:93522
CAS Number
139339-45-0
UNII
MLW2GKK8LI
DrugBank ID
DB16062
TTD ID
D0XP3W

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Human immunodeficiency virus Tat protein (HIV tat) TTT3ZC9 TAT_HV1H2 Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00002314) A Study of Ro 24-7429 in Patients With HIV-Related Kaposi's Sarcoma. U.S. National Institutes of Health.
2 A randomized trial of the activity and safety of Ro 24-7429 (Tat antagonist) versus nucleoside for human immunodeficiency virus infection. The AIDS Clinical Trials Group 213 Team. J Infect Dis. 1995 Nov;172(5):1246-52.