Details of the Drug

General Information of Drug (ID: DMWMRLS)

Drug Name

UNC1215

Synonyms

UNC1215; 1415800-43-9; UNC-1215; UNC 1215; (2-(phenylamino)-1,4-phenylene)bis((4-(pyrrolidin-1-yl)piperidin-1-yl)methanone); CHEMBL2426364; 2-Phenylamino-1,4-bis(4-(pyrrolidinyl)piperidinyl)benzamide; [2-(Phenylamino)benzene-1,4-Diyl]bis{[4-(Pyrrolidin-1-Yl)piperidin-1-Yl]methanone}; MLS006011024; GTPL8232; SCHEMBL19730381; CHEBI:95086; EX-A193; AOB4333; MolPort-028-720-812; HMS3652P22; KS-00000T6B; BCP07393; ZINC83253967; s7088; BDBM50440614; 2782AH; AKOS024458279; SB19337; CS-1646; NCGC00344623-12; NCGC00344623-02; SMR004702819

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

529.7

Logarithm of the Partition Coefficient (xlogp)

5.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C32H43N5O2
IUPAC Name: [3-anilino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
Canonical SMILES: C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5)NC6=CC=CC=C6
InChI: InChI=1S/C32H43N5O2/c38-31(36-20-12-27(13-21-36)34-16-4-5-17-34)25-10-11-29(30(24-25)33-26-8-2-1-3-9-26)32(39)37-22-14-28(15-23-37)35-18-6-7-19-35/h1-3,8-11,24,27-28,33H,4-7,12-23H2
InChIKey: PQOOIERVZAXHBP-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 57339144
ChEBI ID: CHEBI:95086
CAS Number: 1415800-43-9
TTD ID: D0W9RR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lethal(3)malignant brain tumor-like 3 (L3MBTL3)	TTQDMJN	LMBL3_HUMAN	Agonist	[1]

------------------------------------------------------------------------------------

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
DNA cytosine-5)-methyltransferase 1 (DNMT1)	OTM2DGTK	DNMT1_HUMAN	Protein Interaction/Cellular Processes	[2]
Transcription factor SOX-2 (SOX2)	OTFAWCAU	SOX2_HUMAN	Protein Interaction/Cellular Processes	[3]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Discovery of a chemical probe for the L3MBTL3 methyllysine reader domain. Nat Chem Biol. 2013 Mar;9(3):184-91.
2	Methyllysine reader plant homeodomain (PHD) finger protein 20-like 1 (PHF20L1) antagonizes DNA (cytosine-5) methyltransferase 1 (DNMT1) proteasomal degradation. J Biol Chem. 2014 Mar 21;289(12):8277-87. doi: 10.1074/jbc.M113.525279. Epub 2014 Feb 3.
3	PHF20L1 antagonizes SOX2 proteolysis triggered by the MLL1/WDR5 complexes. Lab Invest. 2018 Dec;98(12):1627-1641. doi: 10.1038/s41374-018-0106-8. Epub 2018 Aug 8.