Details of the Drug

General Information of Drug (ID: DMNB4XK)

Drug Name
BVD-523
Indication
Disease Entry ICD 11 Status REF
Melanoma 2C30 Phase 2 [1]
Solid tumour/cancer 2A00-2F9Z Phase 1/2 [2]
Pancreatic cancer 2C10 Phase 1 [3]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 433.3
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C21H22Cl2N4O2
IUPAC Name
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyridin-4-yl]-1H-pyrrole-2-carboxamide
Canonical SMILES
CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl
InChI
InChI=1S/C21H22Cl2N4O2/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t19-/m1/s1
InChIKey
KSERXGMCDHOLSS-LJQANCHMSA-N
Cross-matching ID
PubChem CID
11719003
ChEBI ID
CHEMBL3590106
CAS Number
869886-67-9
UNII
16ZDH50O1U
DrugBank ID
DB13930
TTD ID
D01IED
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Ephrin type-B receptor 2 (EPHB2) TTKPV6O EPHB2_HUMAN Inhibitor [3]
Extracellular signal-regulated kinase 1 (ERK1) TT1MG9E MK03_HUMAN Modulator [4]
Extracellular signal-regulated kinase 2 (ERK2) TT4TQBX MK01_HUMAN Modulator [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Melanoma
ICD Disease Classification 2C30
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Extracellular signal-regulated kinase 2 (ERK2) DTT MAPK1 6.78E-05 1.12 2.73
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT03417739) A Phase II Study of BVD-523 in Metastatic Uveal Melanoma. U.S. National Institutes of Health.
2 ClinicalTrials.gov (NCT01781429) Phase I Dose-Escalation, Safety, Pharmacokinetic and Pharmacodynamic Study of BVD-523 in Patients With Advanced Malignancies. U.S. National Institutes of Health.
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 DOI: 10.1158/1538-7445.AM2015-4693