Details of the Drug

General Information of Drug (ID: DM5DRMY)

Drug Name

P1101

Synonyms

N-Phenylethylenediamine; 1664-40-0; N1-Phenylethane-1,2-diamine; N-(2-Aminoethyl)aniline; 1,2-Ethanediamine, N-phenyl-; Ethylenediamine, N-phenyl-; N-Phenyl-1,2-ethanediamine; 1,2-Ethanediamine, N1-phenyl-; Benzenamine, N-(2-aminoethyl)-; N'-phenylethane-1,2-diamine; N-phenylethane-1,2-diamine; n1-phenyl-1,2-ethanediamine; MFCD00008162; (2-aminoethyl)phenylamine; N-Phenylethylenediamine, 99%; NSC84247; phenylethylenediamine; EINECS 216-773-4; NSC 84247; 2-phenylaminoethylamine; phenyl ethylene diamine; ACMC-209duf; N -phenylethylenediamine; N-phenyl ethylenediamine; N-phenyl ethylene diamine; N-phenyl-ethylene-diamine; N-(2-aminoethyl)-aniline; N-phenyl ethyl-ene diamine; n2-phenyl-1,2-ethanediamine; N-phenyl-ethane-1,2-diamine; SCHEMBL307775; N-Phenylethylenediamine, 98%; N'-phenyl-ethane-1,2-diamine; N1-phenyl-ethane-1,2-diamine; DTXSID1061861; OCIDXARMXNJACB-UHFFFAOYSA-; Ethylenediamine, N-phenyl- (8CI); STR05027; ZINC1736738; 8473AA; ANW-22213; NSC-84247; SBB004200; STL257388; AKOS005135725; LS10740; MCULE-5870561171; NE53436; AC-25457; AK122216; SY009366; DB-043652; CS-0045385; FT-0629102; ST45237853; EN300-81504; J-010281

Indication

Disease Entry	ICD 11	Status	REF
Polycythemia vera	2A20.4	Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

136.19

Logarithm of the Partition Coefficient (xlogp)

0.6

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C8H12N2
IUPAC Name: N'-phenylethane-1,2-diamine
Canonical SMILES: C1=CC=C(C=C1)NCCN
InChI: InChI=1S/C8H12N2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
InChIKey: OCIDXARMXNJACB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 74270
CAS Number: 1664-40-0
TTD ID: DA74SC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Interferon alpha (IFNA)	TT95SOA	NOUNIPROTAC	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT01949805) Pegylated Interferon Alpha-2b Versus Hydroxyurea in Polycythemia Vera (PROUD-PV). U.S. National Institutes of Health.
2	Molecular responses and chromosomal aberrations in patients with polycythemia vera treated with peg-proline-interferon alpha-2b. Am J Hematol. 2015 Apr;90(4):288-94.