Details of the Drug

General Information of Drug (ID: DMCU59W)

Drug Name

UNC2025

Synonyms

1429881-91-3; UNC-2025; mrx-6313; (1r,4r)-4-(2-(butylamino)-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexanol; CHEMBL3326006; 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol; UNC2025A; SCHEMBL14854194; SCHEMBL15978986; SCHEMBL21797957; BDBM350845; BCP16544; EX-A1030; BDBM50055496; MFCD28142874; s9662; AKOS025289796; ZINC210464182; ZINC249857461; CS-3354; SB16838; NCGC00390618-01; NCGC00482875-01; AK171371; AS-52179; DA-44845; HY-12344; US9795606, B4; B8016; FT-0743029; (1r,4r)-4-(2-(butylamino)-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol; 2109176-09-0; 4-(2-(Butylamino)-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol; 4beta-[2-(Butylamino)-5-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine-7-yl]cyclohexane-1alpha-ol; R6N

Indication

Disease Entry	ICD 11	Status	REF
Glioblastoma of brain	2A00.00	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

476.7

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C28H40N6O
IUPAC Name: 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
Canonical SMILES: CCCCNC1=NC=C2C(=CN(C2=N1)C3CCC(CC3)O)C4=CC=C(C=C4)CN5CCN(CC5)C
InChI: InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)
InChIKey: MJSHVHLADKXCML-UHFFFAOYSA-N